SCHEMBL12445276

SCHEMBL12445276

COc1ccccc1N1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.56
DRD3 P35462 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
ADRB1 P08588 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTR3A P46098 1/20 0.56
HTR6 P50406 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
GHSR Q92847 9/20 0.49
POLB P06746 1/20 0.48
HSD11B1 P28845 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL9224742 1.00 DRD2 (0.56) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL25407029 0.82 DRD2 (0.64) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL27680822 0.82 DRD2 (0.64) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL29138547 0.79 DRD2 (0.56) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL34462822 0.79 DRD2 (0.56) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL20511034 0.78 DRD2 (0.58) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL14704614 0.78 DRD2 (0.58) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL4802029 0.78 ALDH1A1 (0.51) MAPTLMNAALDH1A1GHSR
SCHEMBL4802022 0.78 ALDH1A1 (0.51) MAPTLMNAALDH1A1GHSR
SCHEMBL31260259 0.78 NR4A1 (0.50) MAPTLMNAALDH1A1GHSR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 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 (1 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A DRD2 176/4885DRD3 510/4885HTR3E 15/4885

“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.