SCHEMBL276483

SCHEMBL276483

[c]1cnc2ncccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.39
CCR8 P51685 4/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
MMP2 P08253 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
CCR5 P51681 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
MMP8 P22894 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
HTT P42858 1/20 0.39

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
Water SCHEMBL8327751 0.78 CCR1 (0.52) CCR1CCR8KDM4ELMNAMMP2
Ammonia Solution, Strong SCHEMBL29193783 0.76 CCR1 (0.50) CCR1CCR8KDM4ELMNAMMP2
SCHEMBL8193 0.75 CCR1 (0.55) CCR1CCR8KDM4ELMNAMMP2
SCHEMBL28304525 0.75 CCR1 (0.55) CCR1CCR8KDM4ELMNAMMP2
SCHEMBL29354893 0.75 CCR1 (0.55) CCR1CCR8KDM4ELMNAMMP2
SCHEMBL67915 0.75 CCR1 (0.64) CCR1CCR8KDM4ELMNAMMP2
Hydrochloric Acid SCHEMBL2284189 0.73 CCR1 (0.52) CCR1CCR8KDM4ELMNAMMP2
Ammonia Solution, Strong SCHEMBL2732606 0.73 CCR1 (0.52) CCR1CCR8KDM4ELMNAMMP2
Hydrochloric Acid SCHEMBL16337846 0.73 CCR1 (0.52) CCR1CCR8KDM4ELMNAMMP2
Hydrochloric Acid SCHEMBL3704753 0.73 CCR1 (0.52) CCR1CCR8KDM4ELMNAMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
US-RE49934-E1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2024-04-23 US claimed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
CN-109890822-B Inhibitors of cellular metabolic processes 安吉奥斯医药品有限公司 2022-08-30 CN claimed
WO-2021158792-A1 METHODS OF TREATING AUTOIMMUNE OR INFLAMMATORY DISEASES OR DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2021-08-12 WO claimed
CN-113149885-A EBNA1 inhibitors and methods of using the same 威斯塔解剖学和生物学研究所 2021-07-23 CN claimed
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-10 US claimed
EP-3720858-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2020-10-14 EP claimed
EP-0385662-B1 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LTD (GB) 1995-12-13 EP claimed
EP-0385663-B1 Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP claimed
EP-0420511-B1 Heterocyclic derivatives ICI PLC (GB) 1994-08-17 EP claimed
US-5215997-A Synthesis of beta-lactam compounds CIBA-GEIGY CORPORATION (US) 1993-06-01 US claimed
EP-0381375-B1 HETEROCYCLIC DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-11 EP claimed
EP-0420511-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP claimed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0385663-A2 Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0381375-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 EP claimed
US-4379154-A Thiocarboxamide derivatives and their use as pharmaceuticals RHONE-POULENC SANTE (FR) 1983-04-05 US claimed

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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 CCR1 2230/4885CCR8 3168/4885KDM4E 4728/4885
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 CCR1 2151/4885CCR8 3136/4885KDM4E 4739/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 CCR1 2151/4885CCR8 3136/4885KDM4E 4739/4885

“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.