SCHEMBL11932003

SCHEMBL11932003

CN[C@H](CC(C)C)C(=O)N1CCC(N(C)S(=O)(=O)c2cccc(C)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.57
HTR2C P28335 6/20 0.57
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CCKBR P32239 1/20 0.45
DRD2 P14416 2/20 0.45
HTR7 P34969 2/20 0.45
HTR1D P28221 1/20 0.45
DRD3 P35462 1/20 0.45
PTGDR Q13258 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CACNA1B Q00975 2/20 0.42
AIMP2 Q13155 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 1/20 0.41
F2 P00734 2/20 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
SCHEMBL4284293 0.90 CCKBR (0.45) HTR2AHTR2CCCKBRDRD2HTR7
SCHEMBL4278741 0.90 CCKBR (0.45) HTR2AHTR2CCCKBRDRD2HTR7
SCHEMBL11937083 0.88 CACNA1B (0.57) HTR2AHTR2CCACNA1B
SCHEMBL4282394 0.88 CACNA1B (0.57) HTR2AHTR2CCACNA1B
SCHEMBL4282390 0.88 CACNA1B (0.57) HTR2AHTR2CCACNA1B
SCHEMBL22950786 0.85 HTR2A (0.58) HTR2AHTR2CALDH1A1LMNAPOLB
Fumaric Acid SCHEMBL4280251 0.83 CACNA1B (0.53) HTR2AHTR2CLMNACACNA1B
Fumaric Acid SCHEMBL4280255 0.83 CACNA1B (0.53) HTR2AHTR2CLMNACACNA1B
SCHEMBL4277963 0.80 CACNA1B (0.48) HTR2AHTR2CDRD2HTR7CACNA1B
SCHEMBL4285271 0.80 HTR2A (0.45) HTR2AHTR2CCACNA1BF2

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-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 US disclosed
US-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS THE GENERAL HOSPITAL CORPORATION 2012-07-05 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 (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-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 HTR2A 2257/4885HTR2C 3132/4885ALDH1A1 3223/4885
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 HTR2A 1071/4885HTR2C 1634/4885ALDH1A1 2250/4885

“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.