SCHEMBL1700420

SCHEMBL1700420

CN1CCC(N2CCc3cc(Cl)ccc3NC2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.43
▸ CTSS P25774 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ SCD O00767 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ SRD5A1 P18405 7/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RAMP1 O60894 1/20 0.37
▸ CALCRL Q16602 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ SRD5A2 P31213 2/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 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
SCHEMBL2258692 0.87 HTR2C (0.53) AHRCTSSHTR2CHTR2BNOTUM
SCHEMBL1700431 0.82 PDE3B (0.46) HTR2CHTR2BKMT2ADRD4
SCHEMBL1700379 0.81 CHRM2 (0.50) CHRM2CHRM3RAMP1CALCRL
SCHEMBL12788173 0.79 AHR (0.51) AHRHTR2CHTR2BTRPV1SRD5A1
SCHEMBL14410229 0.76 MAPK1 (0.48) AHRCTSSRAMP1CALCRL
SCHEMBL14410239 0.75 ESR1 (0.43) HRH3RAMP1CALCRLDRD4
SCHEMBL14498122 0.74 DRD2 (0.42) CHRM2CHRM3HTR2CHTR2BNOS3
SCHEMBL21966127 0.74 HTR2C (0.43) HTR2CHTR2BSRD5A1MEN1KMT2A
SCHEMBL11244584 0.73 OPRK1 (0.44) CTSSCHRM2CHRM3HTR2CHTR2B
SCHEMBL5378326 0.73 MAPK1 (0.49) AHRCTSSHTR2CHTR2B

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-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 — — US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 — — 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-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 AHR 3654/4885CTSS 2176/4885CHRM2 145/4885

“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.

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