SCHEMBL5111348

SCHEMBL5111348

CC1CN(Cc2ccccc2)CCc2c1cn(C(C)C)c2-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.47
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
ACHE P22303 3/20 0.39
BCHE P06276 2/20 0.39
BACE1 P56817 2/20 0.39
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL2077052 0.79 TACR1 (0.46) TACR1DRD4DRD2ACHEBCHE
SCHEMBL1475971 0.70 HTR2A (0.58) TACR1
SCHEMBL2074166 0.69 HTR2A (0.54) TACR1ACHEGABRA1GABRA2
SCHEMBL4635032 0.68 ACHE (0.52) TACR1DRD4DRD2ACHEBCHE
SCHEMBL4635033 0.68 ACHE (0.52) TACR1DRD4DRD2ACHEBCHE
SCHEMBL5808405 0.68 TACR1 (0.46) TACR1DRD4DRD2ACHEBCHE
SCHEMBL6043648 0.66 ACHE (0.42) TACR1DRD4DRD2ACHEBCHE
SCHEMBL6043641 0.66 ACHE (0.42) TACR1DRD4DRD2ACHEBCHE
SCHEMBL5012169 0.64 ACHE (0.51) TACR1ACHEBCHEBACE1GRIN1
SCHEMBL6943959 0.64 TACR1 (0.62) TACR1ACHEBCHEBACE1GRIN1

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-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B TACR1 259/4885DRD4 112/4885DRD2 57/4885

“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.