SCHEMBL989455

SCHEMBL989455

CCOC(=O)C(C#N)=C1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
MAPT P10636 7/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 4/20 0.54
PKM P14618 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADORA1 P30542 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
SCHEMBL14046061 0.95 MEN1 (0.91) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL16579976 0.88 KMT2A (0.78) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL989510 0.83 KMT2A (0.70) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10291497 0.82 MEN1 (0.70) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL8971751 0.82 MEN1 (0.70) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL3132061 0.81 MEN1 (0.68) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL6320529 0.81 MEN1 (0.67) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL2330634 0.78 MEN1 (0.63) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL13315674 0.78 MEN1 (0.63) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL990247 0.77 KMT2A (0.62) MEN1KMT2AMAPTHPGDALDH1A1

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 43 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-2024125603-A1 SHP2 INHIBITOR AND USE THEREOF 江苏威凯尔医药科技有限公司 2024-06-20 WO disclosed
CN-118206550-A SHP2 inhibitor and application thereof 江苏威凯尔医药科技有限公司 2024-06-18 CN 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
EP-1601677-A1 SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES Novartis AG (CH) 2005-12-07 EP disclosed
WO-2004076455-A1 SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES NOVARTIS AG (CH) 2004-09-10 WO disclosed
EP-0994876-B1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2004-09-08 EP disclosed
US-6380396-B1 CHEMICAL INTERMEDIATES FOR ANTIINFLAMMATORY AGENTS PFIZER INC. 2002-04-30 US disclosed
US-6207678-B1 USED FOR TREATING INFLAMMATORY DISEASE SUCH AS ARTHRITIS, PSORIASIS, ASTHMA OR INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM DISORDER SUCH AS ANXIETY, DEPRESSION, DEMENTIA OR PSYCHOSIS, GASTROINTESTINAL DISORDERS PFIZER INC 2001-03-27 US disclosed
EP-0994876-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 2000-04-26 EP disclosed
WO-1998057972-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1998-12-23 WO disclosed
EP-0037713-B1 NOVEL 1,3-DIHYDRO-1-((1-PIPERIDINYL)ALKYL)-2H-BENZIMIDAZOL-2-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-02-08 EP disclosed
EP-0037713-A1 Novel 1,3-dihydro-1-((1-piperidinyl)alkyl)-2H-benzimidazol-2-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-10-14 EP disclosed
US-4254127-A ANTIEMETIC, NEUROLIPTIC AND ANTICONGESTIVE AGENT JANSSEN PHARMACEUTICA, N.V. (BE) 1981-03-03 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 (3 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-20230373919-A1 AT2R ANTAGONISTS AND USES THEREOF AGTR2, AGTR1, AVPR2 MEN1 3920/4885KMT2A 1826/4885MAPT 3281/4885
US-20250074875-A1 AT2R ANTAGONISTS AND USES THEREOF AGTR2, AGTR1, AVPR2 MEN1 4010/4885KMT2A 1825/4885MAPT 3277/4885
US-12122750-B2 AT2R antagonists and uses thereof AGTR2, AGTR1, AVPR2 MEN1 3920/4885KMT2A 1826/4885MAPT 3281/4885

“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.