SCHEMBL20175019

SCHEMBL20175019

O=C(c1cnc(N2CCOCC2)nc1)N1CCC(N2CCc3ccc(F)cc3C2)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 16/20 0.61
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44

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
SCHEMBL16855449 0.88 ADRA1A (0.64) ADRA1AALDH1A1
SCHEMBL20052796 0.88 ADRA1A (0.79) ADRA1AKDM4EALDH1A1
SCHEMBL20052743 0.83 ADRA1A (0.64) ADRA1AKDM4EALDH1A1
SCHEMBL16835561 0.79 ADRA1A (0.68) ADRA1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL22360345 0.77 ADRA1A (0.60) ADRA1A
SCHEMBL16846280 0.76 ADRA1A (1.00) ADRA1AKDM4EALDH1A1
SCHEMBL18186148 0.75 ADRA1A (0.52) ADRA1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL18186147 0.75 ADRA1A (0.67) ADRA1A
SCHEMBL16855260 0.75 ADRA1A (0.79) ADRA1A
SCHEMBL16824482 0.75 ADRA1A (0.80) ADRA1A

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 6 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
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
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

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.