SCHEMBL4823982

SCHEMBL4823982

CS(=O)(=O)c1cccc(C2=CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.57
SIGMAR1 Q99720 2/20 0.56
QDPR P09417 3/20 0.48
PNMT P11086 1/20 0.43
HTR6 P50406 4/20 0.43
HTR7 P34969 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
SCHEMBL4261152 0.83 HTR2C (0.56) HTR2CSIGMAR1QDPRPNMT
Hydrochloric Acid SCHEMBL17455095 0.81 HTR2C (0.57) HTR2CSIGMAR1QDPRPNMTHTR6
SCHEMBL1009576 0.78 SIGMAR1 (0.42) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL4790435 0.76 HTR2C (0.66) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL30431801 0.76 HTR2C (0.66) HTR2CSIGMAR1QDPRHTR6HTR7
Hydrochloric Acid SCHEMBL9311920 0.75 HTR2C (0.67) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL612693 0.75 BRD4 (0.41)
SCHEMBL4791120 0.74 SIGMAR1 (0.79) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL28725058 0.74 QDPR (0.46) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL21228136 0.73 HTR2C (0.66) HTR2CSIGMAR1QDPR

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
US-RE46117-E1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-08-23 US disclosed
US-7417043-B2 Modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-08-26 US disclosed
CN-100345833-C Modulators of dopamine neurotransmission CARLSSON RES AB (SE) 2007-10-31 CN disclosed
US-20060135531-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2006-06-22 US disclosed
CN-1255382-C Novel modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2006-05-10 CN disclosed
CN-1765890-A Modulators of dopamine neurotransmission CARLSSON RES AB (SE) 2006-05-03 CN disclosed
EP-1240142-B1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION CARLSSON A RESEARCH AB (SE) 2005-10-19 EP disclosed
US-6903120-B2 A 4-(phenyl-N- alkyl)-piperidine derivatives for treatment of central nervous system disorders, Parkinson disease, anxiety, dyskinesias, dystonias, Tourette's disease, psychoses, hallucinoses, sleep disorder, autism A. CARLSSON RESEARCH AB (SE) 2005-06-07 US disclosed
EP-1428822-A2 1-phenylpiperazine derivative as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-06-16 EP disclosed
US-20030139423-A1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2003-07-24 US disclosed
CN-1420869-A Novel modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2003-05-28 CN 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 (2 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-20060135531-A1 Modulators of dopamine neurotransmission SLC6A3, BRS3, CHRNA3 HTR2C 20/4885SIGMAR1 54/4885QDPR 944/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 HTR2C 22/4885SIGMAR1 9/4885QDPR 340/4885

“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.