Isonipecotic Acid

Isonipecotic Acid

SCHEMBL15533683

O=C(O)C(F)(F)F.O=C(O)C1CCNCC1

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.74
GABRP O00591 1/20 0.74
GABRD O14764 1/20 0.74
GABRA1 P14867 1/20 0.74
GABRB1 P18505 1/20 0.74
GABRG2 P18507 1/20 0.74
GABRB3 P28472 1/20 0.74
GABRA5 P31644 1/20 0.74
GABRA3 P34903 1/20 0.74
GABRA2 P47869 1/20 0.74
GABRB2 P47870 1/20 0.74
GABRA4 P48169 1/20 0.74
GABRE P78334 1/20 0.74
PMP22 Q01453 1/20 0.74
GABRA6 Q16445 1/20 0.74
GABRG1 Q8N1C3 1/20 0.74
GABRG3 Q99928 1/20 0.74
GABRQ Q9UN88 1/20 0.74
SLC6A1 P30531 2/20 0.42
LMNA P02545 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Isonipecotic Acid SCHEMBL29651431 1.00 TSHR (0.74) TSHRGABRPGABRDGABRA1GABRB1
Trifluoroacetic Acid SCHEMBL13738487 0.88 SLC6A1 (0.59) TSHRGABRPGABRDGABRA1GABRB1
Trifluoroacetic Acid SCHEMBL1609057 0.88 SLC6A1 (0.59) TSHRGABRPGABRDGABRA1GABRB1
Trifluoroacetic Acid SCHEMBL13738318 0.88 SLC6A1 (0.59) TSHRGABRPGABRDGABRA1GABRB1
Trifluoroacetic Acid SCHEMBL23466638 0.87 GABRP (0.54) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL104297 0.86
Isonipecotic Acid SCHEMBL2027408 0.86 TSHR (1.00) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL28266161 0.84 TSHR (0.85) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL5035880 0.84 TSHR (0.94) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL1703706 0.84 TSHR (0.94) TSHRGABRPGABRDGABRA1GABRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260041686-A1 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS GLAXOSMITHKLINE IP DEV LTD (GB) 2026-02-12 US disclosed
US-12521393-B2 Cytotoxicity targeting chimeras for CCR2-expressing cells GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2026-01-13 US disclosed
EP-4640280-A2 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS GlaxoSmithKline Intellectual Property Development Limited (GB) 2025-10-29 EP disclosed
EP-4384223-B1 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS GLAXOSMITHKLINE IP DEV LTD (GB) 2025-10-01 EP disclosed
CN-115925697-B Small molecule immunoregulation inhibitor and pharmaceutical composition and application thereof 昆药集团股份有限公司 2025-05-09 CN disclosed
US-20250136722-A1 CYTOTOXICITY TARGETING CHIMERAS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2025-05-01 US disclosed
US-20240325392-A1 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-10-03 US disclosed
EP-4384224-A1 CYTOTOXICITY TARGETING CHIMERAS GlaxoSmithKline Intellectual Property Development Limited (GB) 2024-06-19 EP disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 US disclosed
CN-115925697-A Small molecule immunoregulation inhibitor and pharmaceutical composition and application thereof 昆药集团股份有限公司 2023-04-07 CN disclosed
US-9585881-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2017-03-07 US disclosed
US-20160287582-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2016-10-06 US disclosed
CN-105934435-A 2-amino-6-fluoro-N- [ 5-fluoro-pyridin-3-yl ] pyrazolo [1, 5-a ] pyrimidine-3-carboxamide compounds as ATR kinase inhibitors, their preparation, different solid forms, and radiolabeled derivatives thereof 沃泰克斯药物股份有限公司 2016-09-07 CN disclosed
EP-3056493-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2016-08-17 EP disclosed
US-9394250-B2 Substituted pyrrolidines as factor xia inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2016-07-19 US disclosed
US-20150152048-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
EP-2855452-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO Pharmaceutical Co., Ltd. (JP) 2015-04-08 EP disclosed
WO-2013174937-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD (JP) 2013-11-28 WO disclosed
CN-101448835-B 6,7,8, 9-tetrahydro-5H-pyrimido [4,5-D ] azepin-4-yl ] -amine derivatives as TRPV1 modulators for the treatment of pain JANSSEN PHARMACEUTICA NV 2012-06-27 CN disclosed
CN-101448835-A 6 as TRPV1 modulators for the treatment of pain JANSSEN PHARMACEUTICA NV (BE) 2009-06-03 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160287582-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 TSHR 2604/4885GABRP 3123/4885GABRD 4422/4885
US-20260041686-A1 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS CCR2, CCR1, CCRL2 TSHR 778/4885GABRP 2233/4885GABRD 2447/4885
US-20150152048-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 TSHR 2604/4885GABRP 3123/4885GABRD 4422/4885
US-20250136722-A1 CYTOTOXICITY TARGETING CHIMERAS HAVCR2, CD47, CYTH3 TSHR 1405/4885GABRP 1472/4885GABRD 2303/4885
US-20240325392-A1 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS CCR2, CCR1, CCRL2 TSHR 1629/4885GABRP 2143/4885GABRD 2279/4885
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF RIPK1, RIPK4, RIPK2 TSHR 2972/4885GABRP 442/4885GABRD 1532/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.