SCHEMBL7450552

SCHEMBL7450552

COc1cc(C)ccc1CC1CNCCN1C1CCc2cccc3c2N(C1=O)C(C)(C)C3

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.66
DRD4 P21917 7/20 0.66
HTR2C P28335 8/20 0.35
HTR2B P41595 8/20 0.35
HTR2A P28223 6/20 0.34
POLB P06746 1/20 0.31
HTR6 P50406 1/20 0.30

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
SCHEMBL7444710 0.94 DRD2 (0.66) DRD2DRD4HTR2CHTR2BHTR2A
SCHEMBL7445533 0.79 DRD4 (0.63) DRD2DRD4HTR2CHTR2BHTR2A
SCHEMBL7449107 0.69 DRD4 (0.58) DRD2DRD4HTR2CHTR2BHTR2A
SCHEMBL7453514 0.61 DRD4 (0.62) DRD2DRD4HTR2CHTR2B
SCHEMBL22542166 0.57 CYP1A2 (0.62)
Hydrochloric Acid SCHEMBL9343101 0.54 HTR2C (0.51) DRD2HTR2CHTR2BHTR2A
SCHEMBL16174401 0.53 CA1 (0.53)
SCHEMBL16081205 0.53 ALDH1A1 (0.54) POLB
SCHEMBL4511428 0.53 CYP2D6 (0.45) HTR2CPOLB
SCHEMBL10187102 0.53 L3MBTL1 (0.60) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193364-A1 1-azatricyclic-4-benzylpiperazines NEUROGEN CORPORATION (US) 2002-12-19 US claimed
US-20020025956-A1 1-azatricyclic-4-benzylpiperazines HODGETTS KEVIN (US) 2002-02-28 US claimed
US-6294530-B1 HETEROCYCLIC COMPOUNDS FOR NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION 2001-09-25 US claimed
US-20020193364-A1 1-azatricyclic-4-benzylpiperazines NEUROGEN CORPORATION (US) 2002-12-19 US disclosed
US-6403591-B1 NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-06-11 US disclosed
US-20020025956-A1 1-azatricyclic-4-benzylpiperazines HODGETTS KEVIN (US) 2002-02-28 US disclosed
US-6294530-B1 HETEROCYCLIC COMPOUNDS FOR NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION 2001-09-25 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-20020025956-A1 1-azatricyclic-4-benzylpiperazines GABRA5, GABRA1, GABBR1 DRD2 40/4885DRD4 67/4885HTR2C 42/4885
US-20020193364-A1 1-azatricyclic-4-benzylpiperazines GABRA5, GABRA1, GABBR1 DRD2 40/4885DRD4 67/4885HTR2C 42/4885

“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.