SCHEMBL4100338

SCHEMBL4100338

CN[C@@H]1C[C@H](c2c[nH]c3ccc(F)cc23)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A4 P31645 10/20 0.50
HTR1A P08908 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR1B P28222 1/20 0.50
SLC6A3 Q01959 1/20 0.50
IDO1 P14902 3/20 0.49
CYP2C19 P33261 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL4100331 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL4098671 0.90 SLC6A4 (0.50) HTR2ASLC6A4SLC6A2SLC6A3IDO1
SCHEMBL4098677 0.90 SLC6A4 (0.50) HTR2ASLC6A4SLC6A2SLC6A3IDO1
SCHEMBL13620096 0.87 HTR2A (0.48) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL13620081 0.86 IDO1 (0.50) SLC6A4SLC6A2SLC6A3IDO1CYP2C19
SCHEMBL4103244 0.86 HTR2A (0.47) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL4103239 0.86 HTR2A (0.47) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL3978475 0.85 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3IDO1CYP2C19
SCHEMBL4085374 0.84 HTR2C (0.49) HTR2AHTR2CHTR2BIDO1
SCHEMBL4097300 0.84 HTR2C (0.49) HTR2AHTR2CHTR2BIDO1

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 5 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
CN-101472890-A 3- (1H-indol- 3-ydindan-1-ylamine derivatives for the treatment of depression and anxiety LUNDBECK & CO AS H (DK) 2009-07-01 CN 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.