SCHEMBL3527977

SCHEMBL3527977

CCCC(=O)NN(C(=O)C(NC(=O)OCc1ccccc1)c1ccccc1)C1CCc2ncncc2C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 2/20 0.40
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CYP3A4 P08684 9/20 0.37
TSHR P16473 5/20 0.37
ATM Q13315 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 2/20 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
SCHEMBL3528502 0.81 DRD2 (0.49) DRD2DRD3
SCHEMBL3527974 0.71 CTSL (0.46) CTSLCTSSCYP3A4TSHRALDH1A1
SCHEMBL8353576 0.65 OPRK1 (0.64) OPRK1CTSLCTSSCYP3A4TSHR
SCHEMBL27976393 0.64 CTSL (0.64) OPRK1CTSLCTSSCYP3A4TSHR
SCHEMBL17665564 0.64 CTSL (0.64) OPRK1CTSLCTSSCYP3A4TSHR
SCHEMBL27976394 0.64 CTSL (0.64) OPRK1CTSLCTSSCYP3A4TSHR
SCHEMBL13168601 0.64 ATM (0.69) OPRK1CTSLCTSSCYP3A4TSHR
SCHEMBL16215928 0.64 ATM (0.69) OPRK1CTSLCTSSCYP3A4TSHR
SCHEMBL3255270 0.63 ATM (0.60) OPRK1CTSLCTSSCYP3A4TSHR
SCHEMBL3255265 0.63 ATM (0.60) OPRK1CTSLCTSSCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 US claimed
US-7662828-B2 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2010-02-16 US disclosed
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds GRUENENTHAL GMBH (DE) 2009-07-09 US disclosed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 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 (2 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-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds P2RX7, CYP2C8, P2RX5 DRD2 1197/4885DRD3 1557/4885OPRK1 16/4885
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds P2RX7, P2RX5, DPYD DRD2 1269/4885DRD3 1584/4885OPRK1 23/4885

“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.