SCHEMBL18893217

SCHEMBL18893217

CCC(C)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.64
▸ HTR2B P41595 3/20 0.64
▸ SIGMAR1 Q99720 2/20 0.64
▸ ADRA2C P18825 2/20 0.64
▸ SLC6A4 P31645 2/20 0.64
▸ ADRA1A P35348 2/20 0.64
▸ DRD3 P35462 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ OPRK1 P41145 1/20 0.64
▸ HTR2C P28335 2/20 0.55
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.49
▸ IDO1 P14902 2/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL12153136 0.85 HTR2A (0.60) HTR2AHTR2BSIGMAR1ADRA2CSLC6A4
SCHEMBL13200644 0.83 SIGMAR1 (0.52) SIGMAR1CYP3A4CYP2D6TP53TSHR
SCHEMBL4238528 0.83 HTR2A (0.66) HTR2AHTR2BSIGMAR1ADRA2CSLC6A4
SCHEMBL9248064 0.82 SIGMAR1 (0.74) HTR2AHTR2BSIGMAR1ADRA2CSLC6A4
SCHEMBL9472690 0.82 SIGMAR1 (0.74) HTR2AHTR2BSIGMAR1ADRA2CSLC6A4
SCHEMBL9156429 0.82 SIGMAR1 (0.74) HTR2AHTR2BSIGMAR1ADRA2CSLC6A4
SCHEMBL13200640 0.82 CYP2D6 (0.47) HTR2AHTR2BSIGMAR1ADRA2CSLC6A4
SCHEMBL18893310 0.80 ALDH1A1 (0.73) HTR2AHTR2BSIGMAR1ADRA2CSLC6A4
SCHEMBL22957705 0.79 MEN1 (0.43) HTR2AHTR2BSIGMAR1ADRA2CSLC6A4
SCHEMBL27841361 0.79 MAPT (0.50) HTR2AHTR2BSIGMAR1ADRA2CSLC6A4

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-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 — — 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-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 HTR2A 339/4885HTR2B 403/4885SIGMAR1 613/4885

“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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