SCHEMBL4097294

SCHEMBL4097294

NC[C@H]1C[C@@H](c2c[nH]c3ccccc23)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.53
HTR2A P28223 5/20 0.53
HTR2B P41595 3/20 0.53
IDO1 P14902 3/20 0.47
LMNA P02545 1/20 0.47
SLC6A4 P31645 2/20 0.45
ADRB2 P07550 1/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PDE4D Q08499 1/20 0.42
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL4085371 1.00 HTR2C (0.53) HTR2CHTR2AHTR2BIDO1LMNA
SCHEMBL4083580 0.87 MGAM (0.49) HTR2CHTR2AHTR2BIDO1LMNA
SCHEMBL4100325 0.84 HTR2A (0.54) HTR2CHTR2AHTR2BIDO1SLC6A4
SCHEMBL3978472 0.84 IDO1 (0.49) HTR2AIDO1SLC6A4GAAMGAM
SCHEMBL4098668 0.84 IDO1 (0.49) HTR2CHTR2AHTR2BIDO1SLC6A4
SCHEMBL4100328 0.84 HTR2A (0.54) HTR2CHTR2AHTR2BIDO1SLC6A4
SCHEMBL4098666 0.84 IDO1 (0.49) HTR2CHTR2AHTR2BIDO1SLC6A4
SCHEMBL4097287 0.81 HTR2A (0.47) HTR2CHTR2AHTR2BIDO1LMNA
SCHEMBL4106434 0.81 HTR2A (0.47) HTR2CHTR2AHTR2BIDO1LMNA
SCHEMBL4088913 0.81 HTR2A (0.47) HTR2CHTR2AHTR2BIDO1LMNA

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