SCHEMBL4092871

SCHEMBL4092871

CN[C@@H]1C[C@H](c2c[nH]c3ccc(C#N)cc23)c2cc(Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.57
HTR1A P08908 1/20 0.49
DRD1 P21728 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR6 P50406 1/20 0.49
SLC6A3 Q01959 1/20 0.49
IDO1 P14902 1/20 0.48

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
SCHEMBL4092869 1.00 SLC6A4 (0.57) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL4092877 1.00 SLC6A4 (0.57) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL13620084 0.96 SLC6A4 (0.57) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL4103239 0.84 HTR2A (0.47) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL4103244 0.84 HTR2A (0.47) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL3978475 0.81 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3IDO1
SCHEMBL4083583 0.78 MGAM (0.46) SLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL4102361 0.77 HTR2A (0.51) SLC6A4HTR1AHTR2AIDO1
SCHEMBL4102367 0.77 HTR2A (0.51) SLC6A4HTR1AHTR2AIDO1
SCHEMBL4103448 0.74 IDO1 (0.58) SLC6A4HTR1ADRD1SLC6A2HTR1B

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 SLC6A4 5/4885HTR1A 24/4885DRD1 58/4885
US-20090215774-A1 USES OF INDANE COMPOUNDS GPR119, INSR, IRS1 SLC6A4 215/4885HTR1A 66/4885DRD1 213/4885

“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.