SCHEMBL17291667

SCHEMBL17291667

CC(NCC=Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 8/20 0.47
▸ ADRA2C P18825 3/20 0.44
▸ SLC6A2 P23975 3/20 0.44
▸ SLC6A4 P31645 3/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ EBP Q15125 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL15572055 1.00 CASR (0.47) CASRADRA2CSLC6A2SLC6A4DRD2
SCHEMBL17291669 1.00 CASR (0.47) CASRADRA2CSLC6A2SLC6A4DRD2
SCHEMBL13077605 1.00 CASR (0.47) CASRADRA2CSLC6A2SLC6A4DRD2
Hydrochloric Acid SCHEMBL3946213 0.99 CASR (0.48) CASRADRA2CSLC6A2SLC6A4DRD2
Hydrochloric Acid SCHEMBL3945283 0.99 CASR (0.48) CASRADRA2CSLC6A2SLC6A4DRD2
SCHEMBL13077942 0.91 CASR (0.44) CASRADRA2CSLC6A2SLC6A4DRD2
SCHEMBL13077591 0.89 CASR (0.43) CASRADRA2CSLC6A2SLC6A4DRD2
SCHEMBL13077931 0.89 CASR (0.43) CASRADRA2CSLC6A2SLC6A4DRD2
SCHEMBL13077834 0.89 CASR (0.43) CASRADRA2CSLC6A2SLC6A4DRD2
SCHEMBL5501489 0.88 CASR (0.45) CASRADRA2CSLC6A2SLC6A4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. 2015-12-03 — — 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-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF KRAS, RASSF5, RASSF2 CASR 1543/4885ADRA2C 608/4885SLC6A2 2477/4885

“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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