SCHEMBL5905062

SCHEMBL5905062

Cc1c(OCCCNC(C)C)ccc([C@@H](C)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.48
▸ CHRNA7 P36544 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SLC6A4 P31645 2/20 0.42
▸ KCNA5 P22460 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ DRD3 P35462 2/20 0.40
▸ LDHA P00338 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL5905546 0.92 HRH3 (0.47) HRH3CHRNA7KMT2AMEN1ALDH1A1
SCHEMBL5905509 0.92 HRH3 (0.47) HRH3CHRNA7KMT2AMEN1ALDH1A1
SCHEMBL5284002 0.91 HRH3 (0.48) HRH3CHRNA7KMT2AMEN1ALDH1A1
SCHEMBL5905692 0.90 CHRNA7 (0.43) HRH3CHRNA7KMT2AMEN1ALDH1A1
SCHEMBL5904941 0.89 CHRNA7 (0.48) HRH3CHRNA7KMT2AMEN1ALDH1A1
SCHEMBL5242490 0.89 CHRNA7 (0.48) HRH3CHRNA7KMT2AMEN1ALDH1A1
SCHEMBL5905523 0.89 CHRNA7 (0.43) HRH3CHRNA7KMT2AMEN1ALDH1A1
SCHEMBL5905534 0.89 CHRNA7 (0.47) HRH3CHRNA7KMT2AMEN1ALDH1A1
SCHEMBL5904947 0.88 EPHX2 (0.46) HRH3KMT2AMEN1CYP1A2CYP2C9
SCHEMBL5905167 0.88 KDM4E (0.44) HRH3CHRNA7ALDH1A1SLC6A4KCNA5

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-20060009456-A1 Aryl-substituted piperazine derivatives NEUROGEN CORPORATION 2006-01-12 — — US claimed
US-20060009456-A1 Aryl-substituted piperazine derivatives NEUROGEN CORPORATION 2006-01-12 — — 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 (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-20060009456-A1 Aryl-substituted piperazine derivatives MCHR1, MCHR2, PRLHR HRH3 136/4885CHRNA7 403/4885KMT2A 1065/4885

“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.

Send feedback