SCHEMBL989783

SCHEMBL989783

N#CCC1(C#N)CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.61
CYP3A4 P08684 2/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 8/20 0.52
OPRL1 P41146 3/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP2C9 P11712 2/20 0.49
TSHR P16473 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
POLB P06746 1/20 0.49
CCR3 P51677 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL14387152 0.94 OPRM1 (0.56) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL4630573 0.86 OPRM1 (0.63) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL9231786 0.84 OPRM1 (0.61) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL6636176 0.84 OPRM1 (0.61) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL14902471 0.83 OPRM1 (0.60) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL16915778 0.82 OPRM1 (0.58) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL24093376 0.81 OPRM1 (0.57) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL18825779 0.81 OPRL1 (0.58) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL19567416 0.81 OPRM1 (0.57) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL18319632 0.81 OPRM1 (0.57) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119585241-A AT2R antagonists and uses thereof 伊莱利利公司 2025-03-07 CN disclosed
US-20250074875-A1 AT2R ANTAGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2025-03-06 US disclosed
US-12122750-B2 AT2R antagonists and uses thereof ELI LILLY AND COMPANY (US) 2024-10-22 US disclosed
WO-2023224853-A1 AT2R ANTAGONISTS AND USES THEREOF ELI LILLY AND COMPANY (US) 2023-11-23 WO disclosed
WO-2023224853-A1 AT2R ANTAGONISTS AND USES THEREOF ELI LILLY AND COMPANY (US) 2023-11-23 WO disclosed
US-20230373919-A1 AT2R ANTAGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2023-11-23 US disclosed
US-20230373919-A1 AT2R ANTAGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2023-11-23 US disclosed
US-20230373919-A1 AT2R ANTAGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2023-11-23 US disclosed
US-20210338849-A1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS MASSACHUSETTS GEN HOSPITAL (US) 2021-11-04 US disclosed
EP-3231804-B1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS MASSACHUSETTS GEN HOSPITAL (US) 2021-03-03 EP disclosed
US-7531546-B2 Spiro-substituted pyrrolo[2,3-D]pyrimidines as cathepsin inhibitors NOVARTIS AG (CH) 2009-05-12 US disclosed
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
US-20060258690-A1 Spiro-substituted pyrrologyrimidines NOVARTIS AG (CH) 2006-11-16 US disclosed
US-20060247251-A1 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof NOVARTIS AG (CH) 2006-11-02 US disclosed
EP-1601677-B1 SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES NOVARTIS AG (CH) 2006-06-28 EP disclosed
CN-1756553-A 2-cyanopyrrolopyrimidines and pharmaceutical uses thereof NOVARTIS AG (CH) 2006-04-05 CN disclosed
EP-1601677-A1 SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES Novartis AG (CH) 2005-12-07 EP disclosed
EP-1592426-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2005-11-09 EP disclosed
WO-2004076455-A1 SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES NOVARTIS AG (CH) 2004-09-10 WO disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 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 (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-20060247251-A1 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof DPYD, P2RY1, P2RY2 OPRM1 130/4885CYP3A4 840/4885HSD17B10 3710/4885
US-20210338849-A1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS APP, PSEN1, PSEN2 OPRM1 4483/4885CYP3A4 3946/4885HSD17B10 2350/4885
US-20230373919-A1 AT2R ANTAGONISTS AND USES THEREOF AGTR2, AGTR1, AVPR2 OPRM1 96/4885CYP3A4 2075/4885HSD17B10 3840/4885
US-20060258690-A1 Spiro-substituted pyrrologyrimidines CTSS, CTSK, CTSZ OPRM1 1399/4885CYP3A4 2356/4885HSD17B10 3754/4885
US-20250074875-A1 AT2R ANTAGONISTS AND USES THEREOF AGTR2, AGTR1, AVPR2 OPRM1 94/4885CYP3A4 2016/4885HSD17B10 3844/4885
US-12122750-B2 AT2R antagonists and uses thereof AGTR2, AGTR1, AVPR2 OPRM1 96/4885CYP3A4 2075/4885HSD17B10 3840/4885

“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.