SCHEMBL228242

SCHEMBL228242

O=C(c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.76
SLC18A3 Q16572 2/20 0.73
KDM4E B2RXH2 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
SLC6A12 P48065 1/20 0.67
TMEM97 Q5BJF2 1/20 0.67
MCHR1 Q99705 1/20 0.67
SIGMAR1 Q99720 1/20 0.67
HTR2C P28335 1/20 0.66
HTR2B P41595 1/20 0.66

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
SCHEMBL7418001 0.92 SLC18A3 (0.73) HTR2ASLC18A3KDM4ECYP1A2CYP3A4
SCHEMBL6344464 0.90 HTR2A (0.73) HTR2AHTR2CHTR2B
SCHEMBL6154035 0.89 HTR2A (0.69) HTR2ASLC18A3HTR2CHTR2B
SCHEMBL1582470 0.86 HTR2A (0.87) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6209404 0.86 HTR2A (0.66) HTR2ACYP3A4CYP2D6SIGMAR1HTR2C
SCHEMBL10963541 0.86 KCNH2 (0.73) HTR2AHTR2CHTR2B
SCHEMBL6154064 0.86 GAA (0.70) HTR2ASLC18A3HTR2CHTR2B
SCHEMBL6531855 0.86 HTR2A (0.69) HTR2ASLC18A3KDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7418228 0.85 HTR2A (0.85) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL5539621 0.85 SIGMAR1 (0.65) HTR2ASIGMAR1HTR2CHTR2B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023133524-A1 A PROCESS FOR SYNTHESIZING KETANSERIN TERRAN BIOSCIENCES, INC. (US) 2023-07-13 WO disclosed
CN-101384581-B Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE 2013-09-18 CN disclosed
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 US disclosed
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
US-20090075974-A1 AGENT FOR PROPHYLAXIS AND TREATMENT OF PANCREATITIS UMN PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090075974-A1 AGENT FOR PROPHYLAXIS AND TREATMENT OF PANCREATITIS UMN PHARMA INC. (JP) 2009-03-19 US disclosed
CN-101384581-A Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 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 (3 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-20090075974-A1 AGENT FOR PROPHYLAXIS AND TREATMENT OF PANCREATITIS HTR2A, HTR2B, HTR2C HTR2A 1/4885SLC18A3 513/4885KDM4E 4086/4885
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR2C HTR2A 1/4885SLC18A3 332/4885KDM4E 1738/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C HTR2A 1/4885SLC18A3 332/4885KDM4E 1738/4885

“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.