SCHEMBL4191813

SCHEMBL4191813

CC1(NCc2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
HSD17B10 Q99714 1/20 0.54
SIGMAR1 Q99720 4/20 0.53
OPRL1 P41146 1/20 0.51
ACHE P22303 3/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 2/20 0.50
BACE1 P56817 2/20 0.50
CYP2C9 P11712 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
BCHE P06276 1/20 0.50
MC4R P32245 1/20 0.50
CYP2D6 P10635 3/20 0.49
LMNA P02545 1/20 0.49
CXCR4 P61073 1/20 0.48
OPRM1 P35372 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
SCHEMBL9634913 0.91 CYP3A4 (0.47) CYP3A4HSD17B10SIGMAR1OPRL1ACHE
SCHEMBL22857018 0.83 MC4R (0.44) CYP3A4SIGMAR1ACHEMC4ROPRM1
SCHEMBL19641364 0.83 CYP3A4 (0.57) CYP3A4HSD17B10SIGMAR1OPRL1ACHE
SCHEMBL27890446 0.82 CYP3A4 (0.46) CYP3A4SIGMAR1OPRL1MEN1KMT2A
SCHEMBL21410719 0.82 CYP3A4 (0.56) CYP3A4HSD17B10SIGMAR1OPRL1ACHE
SCHEMBL9744423 0.81 NPFFR1 (0.56) CYP3A4HSD17B10SIGMAR1OPRL1ACHE
SCHEMBL20069007 0.79 CYP2D6 (0.50) SIGMAR1OPRL1ACHEALDH1A1MEN1
SCHEMBL12013906 0.79 SIGMAR1 (0.65) CYP3A4HSD17B10SIGMAR1OPRL1ACHE
SCHEMBL11039283 0.79 CYP3A4 (0.43) CYP3A4OPRL1MEN1KMT2AOPRM1
SCHEMBL27800697 0.79 CYP3A4 (0.43) CYP3A4OPRL1TSHRMEN1KMT2A

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-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 2009-05-14 US disclosed
US-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 2009-05-14 US disclosed
US-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 2009-05-14 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-20090124635-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CCR2 CYP3A4 657/4885HSD17B10 2030/4885SIGMAR1 501/4885

“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.