SCHEMBL4888066

SCHEMBL4888066

CC(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.53
HRH4 Q9H3N8 1/20 0.52
EGFR P00533 2/20 0.48
STK10 O94804 1/20 0.48
MAP4K4 O95819 1/20 0.48
ABL1 P00519 1/20 0.48
ERBB2 P04626 1/20 0.48
YES1 P07947 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48
BCR P11274 1/20 0.48
FLT1 P17948 1/20 0.48
ERBB3 P21860 1/20 0.48
WEE1 P30291 1/20 0.48
KDR P35968 1/20 0.48
ABL2 P42684 1/20 0.48
NEK3 P51956 1/20 0.48
LIMK1 P53667 1/20 0.48
LIMK2 P53671 1/20 0.48
EPHB4 P54760 1/20 0.48

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
SCHEMBL4787976 1.00 HTR7 (0.53) HTR7HRH4EGFRSTK10MAP4K4
SCHEMBL4896683 0.88 HRH4 (0.51) HRH4NPC1RAB9APIK3CBCASP1
SCHEMBL4896185 0.80 HRH4 (0.75) HRH4NPC1RAB9APIK3CBCASP1
SCHEMBL4786499 0.75 NPC1 (0.55) NPC1RAB9APRCPCASP1CASP5
SCHEMBL17560828 0.74 HTR7 (0.70) HTR7EGFRMAP4K4PRCP
SCHEMBL14005286 0.73 HRH4 (0.47) HTR7HRH4NPC1RAB9APIK3CB
SCHEMBL12321054 0.72 FAAH (0.54) HRH4RAB9A
SCHEMBL21593091 0.70 HTR7 (0.58) HTR7EGFRMAP4K4PRCP
SCHEMBL4375466 0.70 HTR7 (0.58) HTR7EGFRMAP4K4PRCP
SCHEMBL4375461 0.70 HTR7 (0.58) HTR7EGFRMAP4K4PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 HTR7 3102/4885HRH4 1565/4885EGFR 351/4885

“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.