SCHEMBL6541542

SCHEMBL6541542

CN1CCN(Cc2ccccc2OCc2ccccc2)CC1C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.43
GAA P10253 1/20 0.41
DPP7 Q9UHL4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39

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
SCHEMBL6541694 0.89 MAPT (0.51) TACR1GAAKDM4EALOX15HTR1A
SCHEMBL6540941 0.86 TACR1 (0.56) TACR1KDM4EALOX15
Hydrochloric Acid SCHEMBL6541654 0.85 TACR1 (0.57) TACR1KDM4EALOX15
Hydrochloric Acid SCHEMBL6541642 0.85 TACR1 (0.57) TACR1KDM4EALOX15
SCHEMBL6540033 0.85 ALDH1A1 (0.52) TACR1KDM4EALDH1A1
SCHEMBL6541273 0.83 TACR1 (0.48) TACR1
SCHEMBL6541538 0.82 TACR1 (0.48) TACR1DRD2
SCHEMBL16226487 0.82 TACR1 (0.58) TACR1KDM4E
Hydrochloric Acid SCHEMBL16226238 0.81 TACR1 (0.59) TACR1KDM4E
Hydrochloric Acid SCHEMBL6541849 0.81 TACR1 (0.59) TACR1KDM4E

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-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 TACR1 3/4885GAA 1394/4885DPP7 893/4885

“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.