SCHEMBL3199031

SCHEMBL3199031

Cc1cc(C(=O)NCc2ccccc2-c2ccc(C(C)(C)CCCCC(=O)N3CCOCC3)cc2O)no1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.35
TSHR P16473 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
SCHEMBL3180149 0.89 RAB9A (0.38) ALDH1A1KMT2ARAB9ACNR1CNR2
SCHEMBL13255045 0.88 CNR1 (0.36) ALDH1A1KMT2ARAB9ACNR1CNR2
SCHEMBL13418683 0.88 LMNA (0.37) ALDH1A1RAB9ACNR1CNR2SMN1; SMN2
SCHEMBL3259859 0.87 CNR1 (0.36) ALDH1A1KMT2ARAB9ANPC1CNR1
SCHEMBL3205422 0.87 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19RAB9ANPC1
SCHEMBL3197741 0.87 POLB (0.41) ALDH1A1CYP1A2CYP2C19KMT2ARAB9A
SCHEMBL3189090 0.86 ALDH1A1 (0.39) ALDH1A1KMT2ARAB9ANPC1CNR1
SCHEMBL3191823 0.86 ACE2 (0.37) ALDH1A1KMT2ARAB9ANPC1CNR1
SCHEMBL3180971 0.86 CNR1 (0.43) ALDH1A1KMT2ARAB9ACNR1CNR2
SCHEMBL3190487 0.85 CNR1 (0.41) ALDH1A1KMT2ARAB9ACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074086-A1 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2006-04-06 US claimed
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE ADOLOR CORPORATION (US) 2010-07-01 US disclosed
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE ADOLOR CORPORATION (US) 2010-07-01 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US disclosed
US-20060074086-A1 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2006-04-06 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 (2 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-20060074086-A1 Phenyl derivatives and methods of use CNR2, CNR1, GPR119 ALDH1A1 2685/4885CYP1A2 1830/4885CYP2D6 1533/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 ALDH1A1 2685/4885CYP1A2 1830/4885CYP2D6 1533/4885

“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.