SCHEMBL4103234

SCHEMBL4103234

NC[C@H]1C[C@@H](c2c[nH]c3ccc(F)cc23)c2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
IDO1 P14902 5/20 0.46
CYP2C19 P33261 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
SLC6A4 P31645 12/20 0.44
MPO P05164 2/20 0.42
HTR1A P08908 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR1B P28222 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TRPM8 Q7Z2W7 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
SCHEMBL4103233 1.00 HTR2A (0.50) HTR2AHTR2CHTR2BIDO1CYP2C19
SCHEMBL4100325 0.86 HTR2A (0.54) HTR2AHTR2CHTR2BIDO1CYP2C19
SCHEMBL4100328 0.86 HTR2A (0.54) HTR2AHTR2CHTR2BIDO1CYP2C19
SCHEMBL3978472 0.83 IDO1 (0.49) HTR2AIDO1SLC6A4TRPM8
SCHEMBL4083580 0.81 MGAM (0.49) HTR2AHTR2CHTR2BIDO1SLC6A4
SCHEMBL4102357 0.80 HTR2A (0.54) HTR2AHTR2CHTR2BIDO1SLC6A4
SCHEMBL4102355 0.80 HTR2A (0.54) HTR2AHTR2CHTR2BIDO1SLC6A4
SCHEMBL4103244 0.80 HTR2A (0.47) HTR2AHTR2CHTR2BIDO1CYP2C19
SCHEMBL4103239 0.80 HTR2A (0.47) HTR2AHTR2CHTR2BIDO1CYP2C19
SCHEMBL4098650 0.77 IDO1 (0.46) HTR2AHTR2CHTR2BIDO1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618967-B2 Indane compounds H. LUNDBECK A/S (DK) 2009-11-17 US disclosed
WO-2009106559-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
US-20090215774-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-08-27 US disclosed
US-20080058329-A1 NOVEL INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2008-03-06 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-20080058329-A1 NOVEL INDANE COMPOUNDS OPRL1, HTR2C, SLC6A3 HTR2A 15/4885HTR2C 2/4885HTR2B 36/4885
US-20090215774-A1 USES OF INDANE COMPOUNDS GPR119, INSR, IRS1 HTR2A 103/4885HTR2C 76/4885HTR2B 194/4885

“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.