SCHEMBL20052743

SCHEMBL20052743

COc1ccc2c(c1)CCN(C1CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC1)C2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 15/20 0.64
HRH3 Q9Y5N1 2/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL16855450 0.88 ADRA1A (0.61) ADRA1AHRH3ALDH1A1CA1CA2
SCHEMBL20052796 0.85 ADRA1A (0.79) ADRA1AALDH1A1POLBKDM4EL3MBTL1
SCHEMBL20175019 0.83 ADRA1A (0.61) ADRA1AALDH1A1KDM4E
SCHEMBL18143400 0.82 ADRA1A (0.70) ADRA1AHRH3CA1CA2CA7
SCHEMBL16835543 0.78 ADRA1A (1.00) ADRA1AHRH3
SCHEMBL18186145 0.77 ADRA1A (0.57) ADRA1AHRH3CA1CA2CA7
SCHEMBL18143433 0.77 ADRA1A (0.57) ADRA1AHRH3CA1CA2CA7
SCHEMBL22360345 0.75 ADRA1A (0.60) ADRA1AL3MBTL1
SCHEMBL16855262 0.74 ADRA1A (0.81) ADRA1A
SCHEMBL22360325 0.74 ADRA1A (0.57) ADRA1AL3MBTL1

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 7 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-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 9/4885HRH3 381/4885ALDH1A1 800/4885
US-20180141931-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885HRH3 1756/4885ALDH1A1 2621/4885
US-10323020-B2 Substituted piperidinyl tetrahydroquinolines TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885HRH3 1756/4885ALDH1A1 2621/4885
US-10961221-B2 Substituted piperidinyl tetrahydroquinolines TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885HRH3 1756/4885ALDH1A1 2621/4885
US-20180141930-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885HRH3 1756/4885ALDH1A1 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.