SCHEMBL4458414

SCHEMBL4458414

CN1CC2(CCNCC2)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
VNN1 O95497 1/20 0.34
SMO Q99835 1/20 0.34
NOTUM Q6P988 1/20 0.33
CRBN Q96SW2 1/20 0.30
OPRM1 P35372 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
Hydrochloric Acid SCHEMBL3041445 0.98 CHRNA7 (0.37) CHRNA7VNN1SMONOTUMSIGMAR1
SCHEMBL21584024 0.86
SCHEMBL22107548 0.82 CHRNA7 (0.41) CHRNA7VNN1SMONOTUMOPRM1
SCHEMBL17242004 0.80 CHRNA7 (0.40) CHRNA7VNN1SMONOTUMCRBN
SCHEMBL26289058 0.80 GRM5 (0.40) CHRNA7VNN1SMONOTUMOPRM1
SCHEMBL21557327 0.78 KDM4E (0.39) CHRNA7VNN1SMONOTUMOPRM1
SCHEMBL12065329 0.78 CHRNA7 (0.42) CHRNA7VNN1SMO
Hydrochloric Acid SCHEMBL21570139 0.78 CHRNA7 (0.39) CHRNA7VNN1SMONOTUMCRBN
SCHEMBL24801984 0.78 CHRNA7 (0.33) CHRNA7
SCHEMBL3224637 0.78 HTR2A (0.35) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473304-B2 Heterocyclic PAD4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-18 US disclosed
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-01 US disclosed
US-20250101028-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-03-27 US disclosed
EP-4499639-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2025-02-05 EP disclosed
CN-118900838-A Heterocyclic compounds, compositions thereof and methods of treatment thereof 百济神州有限公司 2024-11-05 CN disclosed
EP-3886845-B1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-09-04 EP disclosed
WO-2023179703-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-09-28 WO disclosed
US-20230286960-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-09-14 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
US-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists BARTON NICHOLAS PAUL 2010-08-26 US disclosed
US-7538122-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-26 US disclosed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
WO-2008129007-A1 BENZIMIDAZOLES WITH A HETERO SPIRO-DECANE RESIDUE AS NPY-Y5 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 US disclosed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 US disclosed
US-20050176703-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2005-08-11 US disclosed
US-4255432-A ANTIHYPERTENSIVE AGENTS, ANTIHISTAMINES, BRONCHODILATOR AGENTS, ANTIVASOSPASTIC AGENTS SYNTEX (U.S.A.) INC. (US) 1981-03-10 US disclosed
US-4244961-A 1-Oxa-3,8-diazaspiro[4.5]decan-2-ones antihypertensive agents SYNTEX (U.S.A.) INC. (US) 1981-01-13 US 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-12473304-B2 Heterocyclic PAD4 inhibitors PADI6, PADI4, PADI1 CHRNA7 2849/4885VNN1 3419/4885SMO 4724/4885
US-20230286960-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, AKT3, PIK3R1 CHRNA7 402/4885VNN1 4448/4885SMO 1596/4885
US-20080139544-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 CHRNA7 2308/4885VNN1 2116/4885SMO 3907/4885
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists TACR2, TACR3, NPY2R CHRNA7 198/4885VNN1 3722/4885SMO 3264/4885
US-20250101028-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH KRAS, NRAS, HRAS CHRNA7 4805/4885VNN1 3181/4885SMO 251/4885
US-20050176703-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 CHRNA7 2308/4885VNN1 2116/4885SMO 3907/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 CHRNA7 4100/4885VNN1 2418/4885SMO 4723/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC CHRNA7 2716/4885VNN1 645/4885SMO 2744/4885
US-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists NPY5R, NPY4R, NPY1R CHRNA7 290/4885VNN1 4203/4885SMO 1878/4885

“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.