SCHEMBL6311586

SCHEMBL6311586

c1ccc(CN2CC3CNC(c4ccccc4)C(C3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
FUCA1 P04066 2/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CXCR3 P49682 1/20 0.39
ACHE P22303 1/20 0.39
GRIN2B Q13224 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
CCR5 P51681 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL5811952 0.84 DRD2 (0.42) KDM1AFUCA1DRD2DRD3CXCR3
SCHEMBL6326281 0.82 FUCA1 (0.43) KDM1AFUCA1DRD2DRD3CXCR3
SCHEMBL6312037 0.80 KDM1A (0.46) KDM1AFUCA1DRD2DRD3ACHE
SCHEMBL1711734 0.79 FUCA1 (0.49) FUCA1SIGMAR1S1PR1S1PR5
SCHEMBL5747922 0.79 DRD2 (0.46) FUCA1DRD2DRD3ACHECCR5
SCHEMBL1008411 0.76 FUCA1 (0.51) FUCA1SIGMAR1S1PR1S1PR5
SCHEMBL6317794 0.76 FUCA1 (0.51) FUCA1SIGMAR1S1PR1S1PR5
Hydrochloric Acid SCHEMBL1366666 0.74 CHRM2 (0.54) FUCA1SIGMAR1S1PR1S1PR5
SCHEMBL2955795 0.73 FUCA1 (0.60) FUCA1CXCR3ACHESIGMAR1S1PR1
SCHEMBL13783796 0.73 FUCA1 (0.60) KDM1AFUCA1DRD2DRD3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 KDM1A 1794/4885FUCA1 1568/4885DRD2 701/4885

“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.