SCHEMBL8199754

SCHEMBL8199754

Cc1ccc(S(=O)(=O)N2CCC3(CCCN(C)C3)Cc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
HTR6 P50406 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
ATM Q13315 1/20 0.43
AKR1B1 P15121 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8200410 0.82 MEN1 (0.42) HTR6KMT2AMEN1ATMAKR1B1
SCHEMBL8218043 0.77 HTR6 (0.43) TSHRHTR6KMT2AMEN1ATM
SCHEMBL8193103 0.77 TP53 (0.44) HTR6KMT2AMEN1ATMAKR1B1
SCHEMBL8215455 0.77 MEN1 (0.40) HTR6KMT2AMEN1ATMAKR1B1
SCHEMBL13039203 0.76 HTR6 (0.46) TSHRHTR6KMT2AMEN1ATM
SCHEMBL7934462 0.75 KMT2A (0.45) TSHRKMT2AMEN1ATMTP53
SCHEMBL4752501 0.75 AKR1B1 (0.47) HTR6KMT2AMEN1ATMAKR1B1
SCHEMBL17158256 0.74 KMT2A (0.49) CYP3A4CYP2D6TSHRKMT2AMEN1
SCHEMBL8201112 0.74 MEN1 (0.43) HTR6KMT2AMEN1ATMAKR1B1
SCHEMBL7931094 0.74 LMNA (0.46) TSHRHTR6KMT2AMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078022-B1 SPIRO BENZAZEPINES USED AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-11-09 EP disclosed
US-7825110-B2 Substituted spiroheterocycles JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-7825110-B2 Substituted spiroheterocycles JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-20080076753-A1 SUBSTITUTED SPIROHETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US disclosed
US-20080076753-A1 SUBSTITUTED SPIROHETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US disclosed
WO-2008036755-A1 SPIRO BENZAZEPINES USED AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 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 (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-20080076753-A1 SUBSTITUTED SPIROHETEROCYCLES AVPR2, AVPR1B, AVPR1A CYP1A2 1268/4885CYP3A4 2543/4885CYP2D6 1609/4885

“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.