SCHEMBL6540436

SCHEMBL6540436

CN1CCN(Cc2ccccc2I)CC1C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.40
NPC1 O15118 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
LCK P06239 1/20 0.39
KCNK9 Q9NPC2 1/20 0.37

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
SCHEMBL6541081 0.85 ALDH1A1 (0.46) TACR1RAB9ATSHR
SCHEMBL6540941 0.82 TACR1 (0.56) TACR1SIGMAR1
SCHEMBL16226487 0.82 TACR1 (0.58) TACR1SIGMAR1LCK
SCHEMBL6540632 0.81 TACR1 (0.54) TACR1
Hydrochloric Acid SCHEMBL6541654 0.81 TACR1 (0.57) TACR1SIGMAR1
SCHEMBL6541057 0.81 TACR1 (0.55) TACR1
Hydrochloric Acid SCHEMBL6541642 0.81 TACR1 (0.57) TACR1SIGMAR1
Hydrochloric Acid SCHEMBL6541849 0.81 TACR1 (0.59) TACR1SIGMAR1LCK
Hydrochloric Acid SCHEMBL16226238 0.81 TACR1 (0.59) TACR1SIGMAR1LCK
Hydrochloric Acid SCHEMBL16226620 0.81 TACR1 (0.56) TACR1

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 4 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
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 TACR1 3/4885NPC1 1439/4885MTOR 2648/4885

“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.