SCHEMBL1436086

SCHEMBL1436086

Cc1cc(C)c(C(=O)O)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.66
GABRD O14764 2/20 0.66
GABRA1 P14867 2/20 0.66
GABRB1 P18505 2/20 0.66
GABRG2 P18507 2/20 0.66
GABRB3 P28472 2/20 0.66
GABRA5 P31644 2/20 0.66
GABRA3 P34903 2/20 0.66
GABRA2 P47869 2/20 0.66
GABRB2 P47870 2/20 0.66
GABRA4 P48169 2/20 0.66
GABRE P78334 2/20 0.66
GABRA6 Q16445 2/20 0.66
GABRG1 Q8N1C3 2/20 0.66
GABRG3 Q99928 2/20 0.66
GABRQ Q9UN88 2/20 0.66
LDHA P00338 1/20 0.58
UHRF1 Q96T88 1/20 0.45
KDM4E B2RXH2 8/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL31043801 1.00 GABRP (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9508554 0.98 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5782203 0.84 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13164026 0.83 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6627726 0.83 CYP1A2 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5336718 0.81 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30197143 0.81 NNMT (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5009904 0.81 NNMT (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19857491 0.81 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL191344 0.81 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611857-B Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 上海伍夫科技有限公司 2024-05-31 CN claimed
EP-0272903-B1 PROCESS FOR PRODUCING A POLYARYLENE SULFIDE Tosoh Corporation (JP) 1993-07-21 EP claimed
CN-122079874-A Method and device for synthesizing etoricoxib key intermediate MMPE through continuous flow 2026-05-26 CN disclosed
US-12503477-B2 Colony stimulating factor-1 receptor (CSF-1R) inhibitors GENZYME CORPORATION 2025-12-23 US disclosed
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 US disclosed
US-20240217991-A1 COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS GENZYME CORPORATION (US) 2024-07-04 US disclosed
CN-115611857-B Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 上海伍夫科技有限公司 2024-05-31 CN disclosed
US-20230242546-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS SUDO BIOSCIENCES LIMITED (GB) 2023-08-03 US disclosed
US-20230183264-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2023-06-15 US disclosed
US-20230174553-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2023-06-08 US disclosed
US-20220396588-A1 COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS GENZYME CORPORATION (US) 2022-12-15 US disclosed
EP-1548015-A1 NOVEL CRYSTALS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-06-29 EP disclosed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US disclosed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed
EP-0065825-B1 PYRIDINE DERIVATIVES AS HISTAMINE H2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-19 EP disclosed
US-4389403-A HYPOTENSIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1983-06-21 US disclosed
EP-0037471-A1 1-Aroyl-2-phenylamino-2-imidazolines, their preparation and their pharmaceutical compositions BASF Aktiengesellschaft (DE) 1981-10-14 EP 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 (9 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-20230242546-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS TYK2, PDXK, JAK1 GABRP 3916/4885GABRD 3914/4885GABRA1 2473/4885
US-20230174553-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GABRP 3031/4885GABRD 2522/4885GABRA1 1670/4885
US-20240217991-A1 COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS CSF1R, CSF3R, IL1RN GABRP 722/4885GABRD 1651/4885GABRA1 311/4885
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 GABRP 1218/4885GABRD 763/4885GABRA1 326/4885
US-20220396588-A1 COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS CSF1R, CSF3R, IL1RN GABRP 722/4885GABRD 1651/4885GABRA1 311/4885
US-20230183264-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GABRP 3031/4885GABRD 2522/4885GABRA1 1670/4885
US-12503477-B2 Colony stimulating factor-1 receptor (CSF-1R) inhibitors CSF1R, CSF3R, IL1RN GABRP 705/4885GABRD 1714/4885GABRA1 276/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 GABRP 1552/4885GABRD 3668/4885GABRA1 3274/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 GABRP 1446/4885GABRD 3303/4885GABRA1 3544/4885

“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.