SCHEMBL4104347

SCHEMBL4104347

COc1ccc2c(c1)C(CN)CC2c1c[nH]c2cc(F)c(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
IDO1 P14902 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
HTR4 Q13639 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
PDE4D Q08499 1/20 0.40
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL4104350 1.00 HTR2A (0.46) HTR2AHTR2CHTR2BIDO1MEN1
SCHEMBL4104357 0.82 HTR2A (0.44) HTR2AHTR2CHTR2BIDO1HTR1A
SCHEMBL4104352 0.82 HTR2A (0.44) HTR2AHTR2CHTR2BIDO1HTR1A
SCHEMBL4088908 0.82 HTR2A (0.47) HTR2AHTR2CHTR2BIDO1MEN1
SCHEMBL4088913 0.82 HTR2A (0.47) HTR2AHTR2CHTR2BIDO1MEN1
SCHEMBL4097287 0.82 HTR2A (0.47) HTR2AHTR2CHTR2BIDO1MEN1
SCHEMBL4106434 0.82 HTR2A (0.47) HTR2AHTR2CHTR2BIDO1MEN1
SCHEMBL4102355 0.81 HTR2A (0.54) HTR2AHTR2CHTR2BIDO1MEN1
SCHEMBL4102357 0.81 HTR2A (0.54) HTR2AHTR2CHTR2BIDO1MEN1
SCHEMBL4102899 0.77 IDO1 (0.43) HTR2AHTR2CHTR2BIDO1MEN1

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-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
EP-2057119-A1 3- (IH-INDOL- 3-YDINDAN-1-YLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY H. Lundbeck A/S (DK) 2009-05-13 EP disclosed
US-20080058329-A1 NOVEL INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2008-03-06 US disclosed
WO-2008025361-A1 3-(1H-INDOL-3-YL) INDAN-1-YLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY H. LUNDBECK A/S (DK) 2008-03-06 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 (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.