SCHEMBL13248564

SCHEMBL13248564

OCCN1CCN(CCCC2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.57
HRH1 P35367 3/20 0.57
CHRM2 P08172 2/20 0.57
CHRM1 P11229 2/20 0.57
DRD2 P14416 2/20 0.57
ADRA2B P18089 2/20 0.57
ADRA2C P18825 2/20 0.57
SLC6A2 P23975 2/20 0.57
ADRA1A P35348 2/20 0.57
DRD3 P35462 2/20 0.57
CACNA1B Q00975 2/20 0.57
SLC6A3 Q01959 2/20 0.57
KCNH2 Q12809 2/20 0.57
SIGMAR1 Q99720 2/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
DRD1 P21728 1/20 0.57
PTGS1 P23219 1/20 0.57
SLC6A4 P31645 1/20 0.57
OPRM1 P35372 1/20 0.57

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
SCHEMBL11891459 0.82 SIGMAR1 (0.50) HTR2AHRH1CHRM2CHRM1DRD2
SCHEMBL3874745 0.79 HTR2A (0.61) HTR2AHRH1CHRM2CHRM1DRD2
SCHEMBL10863210 0.79 HTR2A (0.52) HTR2AHRH1CHRM2CHRM1DRD2
SCHEMBL9874718 0.75 HTR2A (0.57) HTR2AHRH1CHRM2CHRM1DRD2
SCHEMBL11827705 0.73 ALDH1A1 (0.49) HTR2AHRH1CHRM2CHRM1DRD2
Opipramol SCHEMBL29414094 0.73 DRD2 (1.00) HTR2AHRH1CHRM2CHRM1DRD2
Opipramol SCHEMBL49841 0.73 DRD2 (1.00) HTR2AHRH1CHRM2CHRM1DRD2
Opipramol SCHEMBL30020862 0.72 CYP3A4 (1.00) HTR2AHRH1CHRM2CHRM1DRD2
Opipramol SCHEMBL366168 0.72 CYP3A4 (1.00) HTR2AHRH1CHRM2CHRM1DRD2
Opipramol SCHEMBL16416273 0.72 DRD2 (0.97) HTR2AHRH1CHRM2CHRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10376522-B2 Triarylmethane analogs and their use in treating cancers EMORY UNIVERSITY (US) 2019-08-13 US disclosed
US-20170000801-A1 TRIARYLMETHANE ANALOGS AND THEIR USE IN TREATING CANCERS THE US GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERAN AFFAIRS 2017-01-05 US disclosed
US-20170000801-A1 TRIARYLMETHANE ANALOGS AND THEIR USE IN TREATING CANCERS THE US GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERAN AFFAIRS 2017-01-05 US disclosed
US-20100189762-A1 TRIARYLMETHANE ANALOGS AND THEIR USE IN TREATING CANCERS EMORY UNIVERSITY (US) 2010-07-29 US disclosed
US-20100189762-A1 TRIARYLMETHANE ANALOGS AND THEIR USE IN TREATING CANCERS EMORY UNIVERSITY (US) 2010-07-29 US disclosed
WO-2009088838-A2 TRIARYLMETHANE ANALOGS AND THEIR USE IN TREATING CANCERS EMORY UNIVERSITY (US) 2009-07-16 WO disclosed
US-20090176745-A1 TRIARYLMETHANE ANALOGS AND THEIR USE IN TREATING CANCERS EMORY UNIVERSITY (US) 2009-07-09 US disclosed
US-20090176745-A1 TRIARYLMETHANE ANALOGS AND THEIR USE IN TREATING CANCERS EMORY UNIVERSITY (US) 2009-07-09 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 (4 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-20170000801-A1 TRIARYLMETHANE ANALOGS AND THEIR USE IN TREATING CANCERS TK2, TXNRD2, TXN2 HTR2A 1488/4885HRH1 1219/4885CHRM2 4192/4885
US-20090176745-A1 TRIARYLMETHANE ANALOGS AND THEIR USE IN TREATING CANCERS TK2, TXNRD2, TXN2 HTR2A 1488/4885HRH1 1219/4885CHRM2 4192/4885
US-10376522-B2 Triarylmethane analogs and their use in treating cancers TK2, TXNRD2, TXN2 HTR2A 1481/4885HRH1 1252/4885CHRM2 4197/4885
US-20100189762-A1 TRIARYLMETHANE ANALOGS AND THEIR USE IN TREATING CANCERS TK2, TXNRD2, TXN2 HTR2A 1488/4885HRH1 1219/4885CHRM2 4192/4885

“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.