SCHEMBL2128183

SCHEMBL2128183

COCCNc1ccc(C(=O)O)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 15/20 1.00
HCAR2 Q8TDS4 2/20 0.60
PTGER4 P35408 1/20 0.52
GCK P35557 2/20 0.50
ADRA1A P35348 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL28782092 0.89 HCAR3 (0.81) HCAR3HCAR2PTGER4ADRA1AKDM4E
SCHEMBL12686854 0.88 HCAR3 (0.78) HCAR3HCAR2PTGER4ADRA1AKDM4E
SCHEMBL12953967 0.87 HCAR3 (0.76) HCAR3ADRA1AKDM4EALDH1A1
SCHEMBL24218510 0.87 HCAR3 (0.76) HCAR3HCAR2ADRA1AKDM4EALDH1A1
SCHEMBL12678699 0.87 HCAR3 (0.76) HCAR3HCAR2ADRA1AKDM4EALDH1A1
SCHEMBL17365710 0.83 HCAR3 (0.71) HCAR3PTGER4ADRA1AKDM4EALDH1A1
Bromide SCHEMBL16753989 0.83 HCAR3 (0.71) HCAR3HCAR2ADRA1AKDM4EALDH1A1
SCHEMBL186474 0.83 HCAR3 (1.00) HCAR3HCAR2
SCHEMBL18193683 0.81 HCAR3 (0.74) HCAR3HCAR2
SCHEMBL7230169 0.81 HCAR3 (0.73) HCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624198-B2 Substituted piperidinyltetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 US disclosed
US-9624198-B2 Substituted piperidinyltetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 US disclosed
US-9624198-B2 Substituted piperidinyltetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 US disclosed
US-9624199-B2 Substituted bipiperidinyl derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 US disclosed
US-9624199-B2 Substituted bipiperidinyl derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 US disclosed
US-9624199-B2 Substituted bipiperidinyl derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 US disclosed
EP-3083593-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
EP-3083610-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
US-20160304491-A1 SUBSTITUTED PIPERIDINYLTETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 US disclosed
US-20160304491-A1 SUBSTITUTED PIPERIDINYLTETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 US disclosed
US-20160304492-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 US disclosed
US-20160304491-A1 SUBSTITUTED PIPERIDINYLTETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 US disclosed
WO-2015091417-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2015091417-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2015091420-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2015091420-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
CN-102099335-A Heterocyclic antiviral compounds HOFFMANN LA ROCHE 2011-06-15 CN disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20160304492-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES TNNC1, TNNI3, FABP3 HCAR3 1348/4885HCAR2 2689/4885PTGER4 1430/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B HCAR3 2486/4885HCAR2 3185/4885PTGER4 3614/4885
US-20160304491-A1 SUBSTITUTED PIPERIDINYLTETRAHYDROQUINOLINES TNNI3, TNNC1, PRPH HCAR3 2858/4885HCAR2 3641/4885PTGER4 750/4885

“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.