SCHEMBL4108682

SCHEMBL4108682

OC1(c2c[nH]c3ccccc23)CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
OPRL1 P41146 2/20 0.40
MAPT P10636 2/20 0.40
HDAC1 Q13547 1/20 0.39
AVPR1A P37288 1/20 0.39
TP53 P04637 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
PIM1 P11309 1/20 0.39
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38

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
SCHEMBL3053835 0.73 KDM1A (0.43)
SCHEMBL7859854 0.73 SLC6A4 (0.54) MGAMGAASIMGAM2CYP2D6
SCHEMBL6289733 0.70 KDM1A (0.41) OPRL1
SCHEMBL19130585 0.70 KDM1A (0.41) OPRL1
SCHEMBL11086782 0.70 KDM1A (0.38)
SCHEMBL19130584 0.70 HDAC9 (0.50) CYP2D6TP53
SCHEMBL5796055 0.70 HDAC9 (0.50) CYP2D6TP53
SCHEMBL24729172 0.69 MGAM (0.44) MGAMGAASIMGAM2CYP2D6
SCHEMBL29651245 0.69 MGAM (0.44) MGAMGAASIMGAM2CYP2D6
SCHEMBL5362383 0.69 NR3C1 (0.40) MAPT

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
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 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.