SCHEMBL7030100

SCHEMBL7030100

Cc1cccc(SC2CCN(CCc3ccc(F)cc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
HTR2A P28223 5/20 0.44
HTR2C P28335 3/20 0.44
HTR7 P34969 2/20 0.44
HTR6 P50406 1/20 0.44
SSTR5 P35346 1/20 0.43
GRM2 Q14416 2/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
DRD1 P21728 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA1B P35368 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
KCNQ1 P51787 1/20 0.43
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 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
SCHEMBL7025728 0.86 MEN1 (0.49) HTR2AHTR2CHTR7HTR6SSTR5
SCHEMBL7031040 0.85 HTR2A (0.48) HTR2AHTR2CHTR7HTR6SSTR5
SCHEMBL7028399 0.81 PRCP (0.50) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL7027100 0.81 SSTR5 (0.47) HTR2AHTR2CHTR7HTR6SSTR5
SCHEMBL7029871 0.77 HTR2A (0.47) HTR2AHTR2CHTR7HTR6TMEM97
SCHEMBL7026680 0.77 HTR2A (0.55) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL7032576 0.77 HRH3 (0.51) HTR2AHTR2CHTR7HTR6HRH1
SCHEMBL7027681 0.77 HTR2A (0.49) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL7026411 0.77 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7032512 0.76 CARM1 (0.57) HTR2AHTR2CHTR7HTR6

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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 US disclosed
EP-1246803-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT 2A? RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2002-10-09 EP disclosed
WO-2001051469-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2001-07-19 WO disclosed
US-6083951-A FOR THE TREATMENT OF DISEASES OR MEDICAL CONDITIONS SUCH AS HYPERTENSION, PULMONARY HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE ZENECA LIMITED (GB) 2000-07-04 US disclosed
EP-0752986-B1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LTD (GB) 1999-05-19 EP disclosed
US-5861401-A TREATMENT OF CONGESTIVE HEART FAILURE ZENECA LIMITED (GB) 1999-01-19 US disclosed
WO-1995026957-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1995-10-12 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 (1 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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists HTR2A, HTR1A, HTR5A CYP2C9 3382/4885HTR2A 1/4885HTR2C 5/4885

“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.