SCHEMBL20052796

SCHEMBL20052796

O=C(c1cnc(N2CCOCC2)nc1)N1CCC(N2CCc3ccccc3C2)CC1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 14/20 0.79
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL16846280 0.88 ADRA1A (1.00) ADRA1AKDM4EALDH1A1LMNAMAPT
SCHEMBL20175019 0.88 ADRA1A (0.61) ADRA1AKDM4EALDH1A1
SCHEMBL18186147 0.87 ADRA1A (0.67) ADRA1AHPGD
SCHEMBL16855260 0.87 ADRA1A (0.79) ADRA1AHPGD
SCHEMBL22360345 0.86 ADRA1A (0.60) ADRA1AL3MBTL3L3MBTL1PIK3CAMTOR
SCHEMBL16824482 0.86 ADRA1A (0.80) ADRA1A
SCHEMBL16855262 0.86 ADRA1A (0.81) ADRA1A
SCHEMBL16855259 0.85 ADRA1A (0.80) ADRA1AKDM4EALDH1A1
SCHEMBL20220382 0.85 ADRA1A (0.80) ADRA1AKDM4EALDH1A1
SCHEMBL20052743 0.85 ADRA1A (0.64) ADRA1AKDM4EALDH1A1L3MBTL1POLB

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-10961221-B2 Substituted piperidinyl tetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-03-30 US disclosed
WO-2020165031-A1 SUBSTITUTED ISOQUINOLINE-PIPERIDINYLMETHANONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-20 WO disclosed
US-20200230136-A1 SELECTIVE ADRENORECEPTOR ALPHA2C RECEPTOR ANTAGONISTS ALONE, OR IN COMBINATION WITH CHYMASE INHIBITORS FOR USE IN THE TREATMENT AND/OR PROPHYLAXIS OF PERIPHERAL ARTERY DISEASES (PAD) BAYER AKTIENGESELLSCHAFT (DE) 2020-07-23 US disclosed
US-10323020-B2 Substituted piperidinyl tetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-06-18 US disclosed
EP-3083592-B1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES AND THEIR USE AS ALPHA-2C ADRENORECEPTOR ANTAGONISTS Bayer Pharma AG (DE) 2018-06-27 EP disclosed
EP-3329920-A2 ADRENORECEPTOR ALPHA2C RECEPTOR ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2018-06-06 EP disclosed
US-20180141930-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-24 US disclosed
US-20180141931-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-24 US disclosed
US-9944621-B2 Substituted piperidinyl tetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-17 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 (5 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-20200230136-A1 SELECTIVE ADRENORECEPTOR ALPHA2C RECEPTOR ANTAGONISTS ALONE, OR IN COMBINATION WITH CHYMASE INHIBITORS FOR USE IN THE TREATMENT AND/OR PROPHYLAXIS OF PERIPHERAL ARTERY DISEASES (PAD) ADRA2C, ADRB2, ADRA2A ADRA1A 9/4885KDM4E 4636/4885ALDH1A1 800/4885
US-20180141931-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885KDM4E 3729/4885ALDH1A1 2621/4885
US-10323020-B2 Substituted piperidinyl tetrahydroquinolines TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885KDM4E 3729/4885ALDH1A1 2621/4885
US-10961221-B2 Substituted piperidinyl tetrahydroquinolines TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885KDM4E 3729/4885ALDH1A1 2621/4885
US-20180141930-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885KDM4E 3729/4885ALDH1A1 2621/4885

“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.