SCHEMBL5600191

SCHEMBL5600191

c1[nH]nnc1C1CCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.35
KMT2A Q03164 1/20 0.34
MIF P14174 1/20 0.34
CYP19A1 P11511 2/20 0.33
KMO O15229 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
DAO P14920 1/20 0.31
CYP11B2 P19099 1/20 0.31
GABRA2 P47869 1/20 0.30

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
SCHEMBL5602329 1.00 HRH4 (0.35) HRH4KMT2AMIFCYP19A1KMO
SCHEMBL5601695 1.00 HRH4 (0.35) HRH4KMT2AMIFCYP19A1KMO
SCHEMBL5602322 1.00 HRH4 (0.35) HRH4KMT2AMIFCYP19A1KMO
SCHEMBL4798376 1.00 HRH4 (0.35) HRH4KMT2AMIFCYP19A1KMO
SCHEMBL5602384 1.00 HRH4 (0.35) HRH4KMT2AMIFCYP19A1KMO
SCHEMBL5600182 1.00 HRH4 (0.35) HRH4KMT2AMIFCYP19A1KMO
SCHEMBL184035 0.98 HRH4 (0.36) HRH4KMT2AMIFCYP19A1KMO
SCHEMBL5603196 0.93
SCHEMBL2820732 0.89
Pyrimidine SCHEMBL28478147 0.85 CYP11B2 (0.36) HRH4ALDH1A1CYP11B2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
EP-3852747-B1 CYCLOHEPTYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-05-31 EP disclosed
US-20220041572-A1 CYCLOHEPTYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-02-10 US disclosed
EP-3852747-A1 CYCLOHEPTYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2021-07-28 EP disclosed
CN-112702998-A Cycloheptanoic acids as LPA antagonists 百时美施贵宝公司 2021-04-23 CN disclosed
WO-2020060916-A1 CYCLOHEPTYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-26 WO disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
EP-0564193-A1 Heteroannulation process ELI LILLY AND COMPANY (US) 1993-10-06 EP 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 (1 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-20220041572-A1 CYCLOHEPTYL ACIDS AS LPA ANTAGONISTS LPAR1, LPAR2, LPAR5 HRH4 338/4885KMT2A 1676/4885MIF 2680/4885

“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.