SCHEMBL16846277

SCHEMBL16846277

COc1ccc2c(c1)CCN(C1CCNCC1)C2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
CYP2D6 P10635 1/20 0.53
DRD1 P21728 4/20 0.51
DRD5 P21918 3/20 0.51
DRD2 P14416 3/20 0.51
DRD3 P35462 2/20 0.51
DRD4 P21917 1/20 0.51
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
ADRA1A P35348 1/20 0.46

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
Hydrochloric Acid SCHEMBL16824528 0.99 HRH3 (0.55) HRH3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL16855300 0.95 HRH3 (0.56) HRH3SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL16824558 0.93 HRH3 (0.55) HRH3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2370682 0.82 HRH3 (0.53) HRH3CYP2D6DRD1DRD5DRD2
SCHEMBL2491465 0.81 HRH3 (0.47) HRH3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL18143433 0.80 ADRA1A (0.57) HRH3SLC6A2SLC6A4SLC6A3DRD1
SCHEMBL2566859 0.79 HRH3 (0.47) HRH3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL26963045 0.79 HRH3 (0.47) HRH3SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL16835560 0.78 HRH3 (0.46) HRH3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL11261438 0.78 DRD1 (0.49) HRH3SLC6A2SLC6A4SLC6A3DRD1

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 18 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-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-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-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
US-9944621-B2 Substituted piperidinyl tetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-17 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-20160318901-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-20160318901-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US 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
WO-2015091414-A2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20180141931-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES TNNI3, TNNC1, TNNT2 HRH3 1756/4885SLC6A2 3264/4885SLC6A4 1729/4885
US-20160318901-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES TNNI3, TNNC1, TNNT2 HRH3 1700/4885SLC6A2 3185/4885SLC6A4 1873/4885
US-10323020-B2 Substituted piperidinyl tetrahydroquinolines TNNI3, TNNC1, TNNT2 HRH3 1756/4885SLC6A2 3264/4885SLC6A4 1729/4885
US-10961221-B2 Substituted piperidinyl tetrahydroquinolines TNNI3, TNNC1, TNNT2 HRH3 1756/4885SLC6A2 3264/4885SLC6A4 1729/4885
US-20180141930-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES TNNI3, TNNC1, TNNT2 HRH3 1756/4885SLC6A2 3264/4885SLC6A4 1729/4885
US-20160304491-A1 SUBSTITUTED PIPERIDINYLTETRAHYDROQUINOLINES TNNI3, TNNC1, PRPH HRH3 2398/4885SLC6A2 3578/4885SLC6A4 2400/4885

“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.