SCHEMBL4144098

SCHEMBL4144098

OCCc1coc2ccc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
HTR1A P08908 4/20 0.44
HTR1D P28221 2/20 0.44
HTR2C P28335 2/20 0.44
PTPN1 P18031 1/20 0.44
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
NQO2 P16083 2/20 0.39
PDE10A Q9Y233 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL7432471 0.90 HTR6 (0.46) HTR6HTR1AHTR1DHTR2CPTPN1
SCHEMBL7813038 0.90 MTNR1A (0.47) HTR6HTR1AHTR1DHTR2CPTPN1
SCHEMBL4996843 0.86 MAOB (0.47) HTR6HTR1AHTR1DHTR2CPTPN1
SCHEMBL6213614 0.83 HTR6 (0.45) HTR6HTR1AHTR1DHTR2CPTPN1
SCHEMBL14578414 0.83 PDE10A (0.48) HTR6HTR1AHTR1DHTR2CPTPN1
SCHEMBL7432703 0.81 KDM4E (0.47) HTR6HTR1AHTR1DHTR2CPTPN1
SCHEMBL14578313 0.80 MTNR1A (0.45) HTR6HTR1AHTR1DHTR2CPTPN1
SCHEMBL8189977 0.79 ALDH1A1 (0.45) HTR1AHTR1DHTR2CPTPN1HTT
SCHEMBL4150382 0.79 KCNH2 (0.45) HTR1AHTR1DHTR2CPTPN1KDM4E
SCHEMBL19627153 0.79 THRB (0.50) HTR1AHTR1DHTR2CMTNR1AMTNR1B

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122213-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-04-17 US disclosed
US-12195478-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-01-14 US disclosed
EP-4487913-A2 OPIOID RECEPTOR MODULATORS The Trustees Of Columbia University In The City Of New York (US) 2025-01-08 EP disclosed
EP-3224261-B1 OPIOID RECEPTOR MODULATORS UNIV COLUMBIA (US) 2024-09-18 EP disclosed
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US disclosed
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH 2005-01-06 US disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 WO disclosed
EP-1149087-B1 PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-04-07 EP disclosed
US-6596722-B2 Serotonin reuptake inhibitors/HT3 receptor antagonists useful for treatment of depression, psychosis, anxiety disorders, panic disorder, obsessive compulsive disorder, and eating disorders H. LUNDBECK A/S (DK) 2003-07-22 US disclosed
US-20020173512-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use H. LUNDBECK A/S 2002-11-21 US disclosed
US-20020035113-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-03-21 US disclosed
EP-1149087-A1 PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2001-10-31 EP disclosed
EP-1122254-A2 4-Sulfonamide piperidine derivatives, method for their preparation and phamaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-08-08 EP disclosed
WO-2000043382-A1 PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2000-07-27 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 (8 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-12195478-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 HTR6 208/4885HTR1A 80/4885HTR1D 89/4885
US-20020035113-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use DRD1, DRD2, H1-5 HTR6 351/4885HTR1A 51/4885HTR1D 23/4885
US-20250122213-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 HTR6 208/4885HTR1A 80/4885HTR1D 89/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 HTR6 208/4885HTR1A 80/4885HTR1D 89/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 HTR6 189/4885HTR1A 83/4885HTR1D 73/4885
US-20020173512-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use DRD1, DRD2, H1-5 HTR6 351/4885HTR1A 51/4885HTR1D 23/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C HTR6 15/4885HTR1A 12/4885HTR1D 26/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 HTR6 6/4885HTR1A 7/4885HTR1D 9/4885

“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.