SCHEMBL12464591

SCHEMBL12464591

CCN1CCC(N2CCC(O)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
OPRL1 P41146 2/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ACHE P22303 3/20 0.37
SPHK1 Q9NYA1 1/20 0.36
OPRM1 P35372 1/20 0.36
CHRM1 P11229 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL18379205 0.88 KMT2A (0.41) KMT2ASMN1; SMN2OPRL1KDM4EPOLB
SCHEMBL4550376 0.88 KMT2A (0.41) KMT2ASMN1; SMN2OPRL1KDM4EPOLB
SCHEMBL69424 0.87
SCHEMBL4550252 0.85 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2ACHE
Hydrochloric Acid SCHEMBL27859607 0.84 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2KDM4ESPHK1MAPT
SCHEMBL4550213 0.83 SMN1; SMN2 (0.34) KMT2ASMN1; SMN2OPRL1OPRD1OPRK1
SCHEMBL11919045 0.82 KMT2A (0.56) KMT2ASMN1; SMN2ACHE
SCHEMBL11919058 0.82 KMT2A (0.56) KMT2ASMN1; SMN2OPRL1KDM4EACHE
SCHEMBL17946979 0.81 KMT2A (0.47) KMT2ASMN1; SMN2OPRL1KDM4EPOLB
SCHEMBL11919193 0.81 KDM4E (0.50) KMT2ASMN1; SMN2OPRL1KDM4EPOLB

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
WO-2024044334-A2 METHODS AND COMPOSITIONS FOR MODULATING KRAS(G12D) RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2024-02-29 WO disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 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-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B KMT2A 2280/4885SMN1; SMN2 2262/4885OPRL1 4872/4885

“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.