SCHEMBL4775501

SCHEMBL4775501

COC(=O)c1cccc2[nH]cc(C=O)c12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 11/20 0.57
PIM1 P11309 1/20 0.54
PIM3 Q86V86 1/20 0.54
CYP2A6 P11509 2/20 0.53
CREBBP Q92793 1/20 0.51
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
IMPDH2 P12268 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ERN1 O75460 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL29950881 1.00 NR4A2 (0.57) NR4A2PIM1PIM3CYP2A6CREBBP
SCHEMBL14070635 0.85 NR4A2 (0.53) NR4A2PIM1PIM3CREBBPALDH1A1
SCHEMBL14072599 0.85 NR4A2 (0.53) NR4A2PIM1PIM3CREBBPALDH1A1
SCHEMBL27988710 0.83 CYP2A6 (0.50) NR4A2PIM1PIM3CYP2A6CREBBP
SCHEMBL6621360 0.82 CYP2A6 (0.49) NR4A2PIM1PIM3CYP2A6CREBBP
SCHEMBL5002752 0.81 CYP2A6 (0.58) NR4A2PIM1PIM3CYP2A6ALDH1A1
SCHEMBL29953523 0.81 CYP2A6 (0.58) NR4A2PIM1PIM3CYP2A6ALDH1A1
SCHEMBL5008074 0.81 CYP2A6 (0.58) NR4A2PIM1PIM3CYP2A6ALDH1A1
SCHEMBL9485678 0.80 BRAF (0.50) NR4A2PIM1PIM3CREBBPALDH1A1
SCHEMBL30561554 0.80 BRAF (0.50) NR4A2PIM1PIM3CREBBPALDH1A1

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-119285628-A Compounds for the treatment and prophylaxis of respiratory syncytial virus infection diseases 石药集团中奇制药技术(石家庄)有限公司 2025-01-10 CN disclosed
US-20230295106-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY DELIX THERAPEUTICS, INC. 2023-09-21 US disclosed
CN-107873030-B 5-HT2CReceptor agonists and compositions and methods of use 艾尼纳制药公司 2021-03-19 CN disclosed
US-10392390-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
EP-3288946-B1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARM INC (US) 2019-08-21 EP disclosed
US-20180186797-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2018-07-05 US disclosed
EP-3288946-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE Arena Pharmaceuticals, Inc. (US) 2018-03-07 EP disclosed
EP-2766344-B1 EP1 RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-05-03 EP disclosed
US-9518015-B2 EP1 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-12-13 US disclosed
WO-2016176177-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2016-11-03 WO disclosed
CN-1342161-A Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMA (US) 2002-03-27 CN disclosed
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
EP-1140936-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2001-10-10 EP disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
WO-2000042040-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2000-07-20 WO disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed
US-5272143-A 6-oxoazepinoindole compounds, and pharmaceutical compositions containing them KALI-CHEMIE PHARMA GMBH (DE) 1993-12-21 US disclosed
US-3978066-A Certain 4,6-dihydropyrrolotriazoline-quinoline derivatives AYERST, MCKENNA AND HARRISON LTD. (CA) 1976-08-31 US disclosed
US-3950343-A PYRROLOISOQUINOLINE DERIVATIVES AYERST, MCKENNA AND HARRISON LTD. (CA) 1976-04-13 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 (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-20230295106-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY GRIN1, GRIN2A, GRIN3B NR4A2 345/4885PIM1 3878/4885PIM3 3882/4885
US-10392390-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 NR4A2 330/4885PIM1 4325/4885PIM3 3755/4885
US-20180186797-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 NR4A2 330/4885PIM1 4325/4885PIM3 3755/4885

“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.