SCHEMBL5174357

SCHEMBL5174357

Cc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1cccc(I)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
TACR1 P25103 9/20 0.38
TMEM97 Q5BJF2 1/20 0.36
KDM4E B2RXH2 3/20 0.36
IDH1 O75874 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5159284 0.92 SIGMAR1 (0.40) SIGMAR1TACR1TMEM97KDM4ECCNT1
SCHEMBL5158527 0.92 TACR1 (0.39) SIGMAR1HTR2AHTR2CHTR7HTR6
SCHEMBL6482708 0.91 SIGMAR1 (0.41) SIGMAR1TACR1TMEM97KDM4EIDH1
SCHEMBL5162344 0.90 SIGMAR1 (0.39) SIGMAR1TACR1TMEM97KDM4ECCNT1
SCHEMBL5158340 0.90 MEN1 (0.44) SIGMAR1TACR1TMEM97KDM4E
SCHEMBL5158719 0.90 KDM4E (0.41) SIGMAR1TACR1TMEM97KDM4ECCNT1
SCHEMBL5161336 0.89 KMT2A (0.42) SIGMAR1TACR1CCNT1CDK9
SCHEMBL5161802 0.89 TACR1 (0.40) SIGMAR1TACR1TMEM97KDM4ECCNT1
SCHEMBL5156675 0.89 TACR1 (0.47) SIGMAR1TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5156766 0.88 DRD4 (0.37) SIGMAR1TACR1TMEM97KDM4ECCNT1

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-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 SIGMAR1 779/4885HTR2A 670/4885HTR2C 542/4885

“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.