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SCHEMBL5248402

SCHEMBL5248402

CN1CCC(N(C)c2nc3ccc(NC(=O)c4ccc(-c5ccc(F)cc5)cc4)cc3s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 12/20 0.52
▸ HTR1A P08908 8/20 0.52
▸ HTR1B P28222 5/20 0.52
▸ HTR1D P28221 6/20 0.51
▸ POLB P06746 1/20 0.49
▸ TP53 P04637 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ THRB P10828 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MCHR1 Q99705 2/20 0.45
▸ HTR2C P28335 1/20 0.45

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
SCHEMBL13054240 0.95 HTR1F (0.49) HTR1FHTR1AHTR1BHTR1DPOLB
SCHEMBL13054193 0.90 POLB (0.48) HTR1FHTR1AHTR1BHTR1DPOLB
SCHEMBL4641465 0.87 KMT2A (0.41) HTR1FHTR1AHTR1BHTR1DPOLB
SCHEMBL13054237 0.85 POLB (0.48) HTR1FHTR1AHTR1BHTR1DPOLB
SCHEMBL4641230 0.82 PTGDR2 (0.42) HTR1FHTR1AHTR1BPOLBTP53
SCHEMBL13054078 0.80 MCHR1 (0.54) POLBTP53MAPTTHRBRXFP1
SCHEMBL13054192 0.80 HTR2C (0.57) POLBTP53MAPTTHRBLMNA
SCHEMBL13054125 0.80 MCHR1 (0.55) POLBTP53MAPTTHRBLMNA
SCHEMBL13054194 0.79 HTR2C (0.56) POLBTP53MAPTTHRBLMNA
SCHEMBL5251678 0.79 MAPT (0.56) HTR1FHTR1AHTR1BHTR1DTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 — — US disclosed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 — — US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 — — US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 — — US disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 — — EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 — — WO 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R HTR1F 99/4885HTR1A 60/4885HTR1B 84/4885

“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.