SCHEMBL3944489

SCHEMBL3944489

NCC1CCC(CNS(=O)(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.46
CNR1 P21554 10/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPY1R P25929 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL3944492 1.00 CNR2 (0.46) CNR2CNR1ALDH1A1POLBCYP1A2
SCHEMBL3943111 0.89 ALDH1A1 (0.47) CNR2CNR1ALDH1A1POLBCYP1A2
SCHEMBL3943115 0.89 ALDH1A1 (0.47) CNR2CNR1ALDH1A1POLBCYP1A2
SCHEMBL13796479 0.87 CYP1A2 (0.43) CNR2CNR1ALDH1A1POLBCYP1A2
SCHEMBL3940595 0.86 ALDH1A1 (0.47) CNR2CNR1ALDH1A1POLBCYP1A2
SCHEMBL3940599 0.86 ALDH1A1 (0.47) CNR2CNR1ALDH1A1POLBCYP1A2
SCHEMBL420088 0.77 CYP1A2 (0.50) ALDH1A1POLBCYP1A2CYP2C9LMNA
SCHEMBL13796389 0.76 NPY5R (0.51) ALDH1A1NPY1RNPY5R
SCHEMBL13796693 0.75 NPY5R (0.52) ALDH1A1NPY1RNPY5R
SCHEMBL13795478 0.75 NPY5R (0.50) CNR2CNR1ALDH1A1NPY1RNPY5R

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-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 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-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R CNR2 321/4885CNR1 262/4885ALDH1A1 1616/4885

“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.