SCHEMBL4098654

SCHEMBL4098654

NC[C@H]1C[C@@H](c2c[nH]c3cc(Br)ccc23)c2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.46
SLC6A4 P31645 4/20 0.41
HTR2A P28223 3/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
DRD2 P14416 1/20 0.38
ADRA1D P25100 2/20 0.36
CYP2C19 P33261 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL4098650 1.00 IDO1 (0.46) IDO1SLC6A4HTR2AHTR2CHTR2B
SCHEMBL4098668 0.83 IDO1 (0.49) IDO1SLC6A4HTR2AHTR2CHTR2B
SCHEMBL4098666 0.83 IDO1 (0.49) IDO1SLC6A4HTR2AHTR2CHTR2B
SCHEMBL4098657 0.80 SLC6A4 (0.46) IDO1SLC6A4HTR2ADRD2HTR1A
SCHEMBL4098655 0.80 SLC6A4 (0.46) IDO1SLC6A4HTR2ADRD2HTR1A
SCHEMBL4103234 0.77 HTR2A (0.50) IDO1SLC6A4HTR2AHTR2CHTR2B
SCHEMBL4103233 0.77 HTR2A (0.50) IDO1SLC6A4HTR2AHTR2CHTR2B
SCHEMBL4100328 0.76 HTR2A (0.54) IDO1SLC6A4HTR2AHTR2CHTR2B
SCHEMBL4100325 0.76 HTR2A (0.54) IDO1SLC6A4HTR2AHTR2CHTR2B
SCHEMBL4105875 0.75 AR (0.41) SLC6A4HTR2AHTR2CHTR2B

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 IDO1 11/4885SLC6A4 5/4885HTR2A 15/4885
US-20090215774-A1 USES OF INDANE COMPOUNDS GPR119, INSR, IRS1 IDO1 19/4885SLC6A4 215/4885HTR2A 103/4885

“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.