SCHEMBL3963846

SCHEMBL3963846

O=C(OCc1ccccc1)N1CCC(C2CCNCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
CYP2C19 P33261 1/20 0.64
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GRIN2B Q13224 9/20 0.56
CYP2D6 P10635 4/20 0.56
CYP2C9 P11712 4/20 0.56
HTT P42858 1/20 0.54
CYP3A4 P08684 3/20 0.53
ENPP2 Q13822 1/20 0.52
HTR2C P28335 1/20 0.51
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47

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 SCHEMBL7917684 0.99 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30965575 0.94 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14992459 0.92 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL24025419 0.89 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30963412 0.87 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL27152787 0.87 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
4-Fluoro-Piperidinium SCHEMBL4717910 0.87 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL26925420 0.87 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30981236 0.87 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL18930856 0.86 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225465-B1 REACTING BENZOAZEPINE OR BENZODIAZEPINE DERIVATIVE WITH PROTECTED AMINE IN PRESENCE OF PALLADIUM CATALYST IN PRESENCE OF CARBON MONOXIDE, REMOVING PROTECTING GROUPS SMITHKLINE BEECHAM PLC (GB) 2001-05-01 US claimed
EP-4539849-A1 COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 C4 Therapeutics, Inc. (US) 2025-04-23 EP disclosed
US-20250121070-A1 COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 C4 THERAPEUTICS, INC. (US) 2025-04-17 US disclosed
WO-2023244764-A1 COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 C4 THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 EP disclosed
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
US-7271175-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2007-09-18 US disclosed
US-7271175-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2007-09-18 US disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US disclosed
EP-0964928-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1999-12-22 EP disclosed
WO-1998029561-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1998-07-09 WO 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 (4 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-20250121070-A1 COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 SMARCA2, SMARCE1, SMARCA1 SMN1; SMN2 332/4885NPC1 3404/4885RAB9A 3492/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 SMN1; SMN2 1689/4885NPC1 2516/4885RAB9A 799/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS SMN1; SMN2 1673/4885NPC1 2366/4885RAB9A 660/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 SMN1; SMN2 1689/4885NPC1 2516/4885RAB9A 799/4885

“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.