SCHEMBL15701722

SCHEMBL15701722

CCCCN(Cc1ccc2ccccc2c1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.58
CYP1A2 P05177 1/20 0.51
CYP2A6 P11509 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SIGMAR1 Q99720 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
PYCR1 P32322 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL3972862 0.82 BCHE (0.60) BCHECYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL20021997 0.81 BCHE (0.83) BCHECYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL14024617 0.80 SIGMAR1 (0.54) BCHECYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL3971600 0.80 SIGMAR1 (0.52) BCHECYP1A2CYP2A6SIGMAR1HTR2A
SCHEMBL14149518 0.80 SIGMAR1 (0.63) BCHECYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL12153268 0.80 BCHE (0.56) BCHECYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL16256948 0.78 BCHE (0.74) BCHECYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL11791177 0.78 LTA4H (0.50) BCHECYP1A2SLC6A2SLC6A3SIGMAR1
SCHEMBL15701699 0.77 CYP1A2 (0.53) CYP1A2SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL15701707 0.76 TSHR (0.50) PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 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 (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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 BCHE 4103/4885CYP1A2 4423/4885CYP2A6 3328/4885

“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.