SCHEMBL18186147

SCHEMBL18186147

O=C(c1cnc(N2CCS(O)(O)CC2)nc1)N1CCC(N2CCc3ccccc3C2)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 15/20 0.67
HPGD P15428 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
RIPK1 Q13546 1/20 0.42

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
SCHEMBL16855260 0.92 ADRA1A (0.79) ADRA1AHPGDRIPK1
SCHEMBL18143544 0.88 ADRA1A (0.86) ADRA1AHPGD
SCHEMBL20052796 0.87 ADRA1A (0.79) ADRA1AHPGD
SCHEMBL20220382 0.82 ADRA1A (0.80) ADRA1A
SCHEMBL16855259 0.82 ADRA1A (0.80) ADRA1A
SCHEMBL22345196 0.82 ADRA1A (0.60) ADRA1A
SCHEMBL22360348 0.82 ADRA1A (0.57) ADRA1ADGAT2
SCHEMBL16824482 0.82 ADRA1A (0.80) ADRA1A
SCHEMBL16846289 0.80 ADRA1A (1.00) ADRA1AHPGD
SCHEMBL16855262 0.79 ADRA1A (0.81) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3883933-A1 a2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2021-09-29 EP disclosed
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
EP-3615031-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) 2020-03-04 EP disclosed
US-10323020-B2 Substituted piperidinyl tetrahydroquinolines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-06-18 US disclosed
WO-2018197333-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) 2018-11-01 WO 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
US-20160318901-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 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 (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-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 9/4885HPGD 2052/4885DGAT2 3602/4885
US-20180141931-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885HPGD 2811/4885DGAT2 3853/4885
US-20160318901-A1 SUBSTITUTED PIPERIDINYL-TETRAHYDROQUINOLINES TNNI3, TNNC1, TNNT2 ADRA1A 1852/4885HPGD 2365/4885DGAT2 3968/4885
US-10323020-B2 Substituted piperidinyl tetrahydroquinolines TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885HPGD 2811/4885DGAT2 3853/4885
US-10961221-B2 Substituted piperidinyl tetrahydroquinolines TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885HPGD 2811/4885DGAT2 3853/4885
US-20180141930-A1 SUBSTITUTED PIPERIDINYL TETRAHYDROQUINOLINES TNNI3, TNNC1, TNNT2 ADRA1A 2094/4885HPGD 2811/4885DGAT2 3853/4885

“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.