SCHEMBL4102355

SCHEMBL4102355

COc1ccc2[nH]cc(C3CC(CN)c4cc(Cl)ccc43)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.54
HTR2B P41595 3/20 0.54
HTR2C P28335 3/20 0.54
IDO1 P14902 5/20 0.49
PDE4D Q08499 1/20 0.46
MAPT P10636 3/20 0.44
TSHR P16473 2/20 0.44
HTR1A P08908 2/20 0.44
CYP1A2 P05177 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
HTR4 Q13639 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
LMNA P02545 2/20 0.43

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
SCHEMBL4102357 1.00 HTR2A (0.54) HTR2AHTR2BHTR2CIDO1PDE4D
SCHEMBL4103395 0.84 HTR2A (0.53) HTR2AHTR2BHTR2CIDO1PDE4D
SCHEMBL4103399 0.84 HTR2A (0.53) HTR2AHTR2BHTR2CIDO1PDE4D
SCHEMBL4103394 0.84 HTR2A (0.53) HTR2AHTR2BHTR2CIDO1PDE4D
SCHEMBL4102361 0.83 HTR2A (0.51) HTR2AHTR2BHTR2CIDO1PDE4D
SCHEMBL4102367 0.83 HTR2A (0.51) HTR2AHTR2BHTR2CIDO1PDE4D
SCHEMBL4083580 0.82 MGAM (0.49) HTR2AHTR2BHTR2CIDO1HTR6
SCHEMBL3978472 0.82 IDO1 (0.49) HTR2AIDO1TRPM8MEN1KMT2A
SCHEMBL4104350 0.81 HTR2A (0.46) HTR2AHTR2BHTR2CIDO1PDE4D
SCHEMBL4104347 0.81 HTR2A (0.46) HTR2AHTR2BHTR2CIDO1PDE4D

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 15/4885HTR2B 36/4885HTR2C 2/4885
US-20090215774-A1 USES OF INDANE COMPOUNDS GPR119, INSR, IRS1 HTR2A 103/4885HTR2B 194/4885HTR2C 76/4885

“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.