SCHEMBL13532648

SCHEMBL13532648

Cc1cc(C)nc(N2CCN(CCCC(O)c3ccccc3)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 9/20 0.60
▸ SIGMAR1 Q99720 4/20 0.52
▸ DRD2 P14416 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ DRD3 P35462 2/20 0.49

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
SCHEMBL13532635 0.88 SIGMAR1 (0.69) HTR1ASIGMAR1DRD2KDM4ECYP1A2
SCHEMBL13532646 0.87 HTR1A (0.66) HTR1ASIGMAR1DRD2KDM4ECYP1A2
SCHEMBL9129799 0.83 CASP1 (0.62) HTR1ASIGMAR1DRD2KDM4ECYP1A2
SCHEMBL13532645 0.79 HTR1A (0.68) HTR1ASIGMAR1DRD2KDM4ECYP1A2
SCHEMBL13532633 0.78 SIGMAR1 (0.84) HTR1ASIGMAR1DRD2KDM4ECYP1A2
SCHEMBL7486793 0.76 HTR1A (0.53) HTR1AKDM4ECYP2C9
SCHEMBL13532629 0.75 SIGMAR1 (0.68) HTR1ASIGMAR1DRD2KDM4ECYP1A2
SCHEMBL13532638 0.74 HTR1A (0.88) HTR1ASIGMAR1DRD2DRD3
SCHEMBL11981508 0.73 MEN1 (0.62) HTR1AKDM4ECYP2C9
SCHEMBL14038304 0.71 HTR1A (0.76) HTR1A

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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 — — US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 — — 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HTR1A 7/4885SIGMAR1 201/4885DRD2 242/4885

“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.

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