SCHEMBL4083580

SCHEMBL4083580

NCC1CC(c2c[nH]c3ccccc23)c2ccc(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 6/20 0.41
LMNA P02545 1/20 0.41
KIF11 P52732 1/20 0.41
HTR6 P50406 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL3978472 0.88 IDO1 (0.49) MGAMGAASIMGAM2HTR2A
SCHEMBL4085371 0.87 HTR2C (0.53) MGAMGAASIMGAM2HTR2A
SCHEMBL4097294 0.87 HTR2C (0.53) MGAMGAASIMGAM2HTR2A
SCHEMBL4102357 0.82 HTR2A (0.54) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL4102355 0.82 HTR2A (0.54) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL4103233 0.81 HTR2A (0.50) HTR2AHTR2CHTR2BIDO1SLC6A4
SCHEMBL4103234 0.81 HTR2A (0.50) HTR2AHTR2CHTR2BIDO1SLC6A4
SCHEMBL4108578 0.79 HTR2A (0.44) HTR2AHTR2CHTR2BALDH1A1IDO1
SCHEMBL4108583 0.79 HTR2A (0.44) HTR2AHTR2CHTR2BALDH1A1IDO1
SCHEMBL4083583 0.79 MGAM (0.46) MGAMGAASIMGAM2HTR2A

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 MGAM 3466/4885GAA 1179/4885SI 1639/4885
US-20090215774-A1 USES OF INDANE COMPOUNDS GPR119, INSR, IRS1 MGAM 800/4885GAA 921/4885SI 399/4885

“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.