SCHEMBL4371987

SCHEMBL4371987

CN1CCC(COc2cc(N)ccc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.43
KDR P35968 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
EGFR P00533 4/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
RAD52 P43351 1/20 0.42
HTR4 Q13639 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SYK P43405 1/20 0.41
ABL1 P00519 3/20 0.41
ABL2 P42684 3/20 0.41
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL10003224 0.87 SYK (0.48) KDRALDH1A1HTTSYK
SCHEMBL30140078 0.87 SYK (0.48) KDRALDH1A1HTTSYK
SCHEMBL4369776 0.85 HRH3 (0.44) ALDH1A1HTTSYK
SCHEMBL13861972 0.84 POLB (0.48) SRCKDRHSP90AA1HSP90AB1EGFR
SCHEMBL6313905 0.83 KDM4E (0.51) EGFRKDM4EMAPTHTR4HTR2A
SCHEMBL21644468 0.83 PDPK1 (0.48) EGFRKDM4EMAPTHTR4HTR2A
SCHEMBL3514417 0.83 CYP1A2 (0.44) SRCKDRHSP90AA1HSP90AB1EGFR
SCHEMBL24992874 0.81 ABL1 (0.43) SRCKDM4EHTR4ALDH1A1ABL1
SCHEMBL446531 0.81 RBP4 (0.41) EGFRKDM4EHTR4HTTHTR2A
SCHEMBL3293543 0.81 HSP90AA1 (0.48) SRCKDRHSP90AA1HSP90AB1EGFR

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-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS SRC 1385/4885KDR 83/4885HSP90AA1 1608/4885

“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.