SCHEMBL17819173

SCHEMBL17819173

COc1cccc(CN2CCC(N(C)C(=O)n3cnc(-c4ccc(OCc5ccccc5)cc4)c3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CCR5 P51681 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MCHR1 Q99705 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CHRM4 P08173 1/20 0.44

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
SCHEMBL424822 0.92 RAB9A (0.51) KDM4EMEN1KMT2ALMNAALOX15
SCHEMBL16432718 0.92 CD74 (0.50) KDM4EMEN1KMT2ALMNAALOX15
SCHEMBL16439265 0.90 MMP1 (0.47) KDM4EMEN1KMT2ALMNACCR5
SCHEMBL17828658 0.90 KDM4E (0.50) KDM4EMEN1KMT2ALMNACCR5
SCHEMBL427261 0.90 CHRM2 (0.53) KMT2ASIGMAR1MCHR1CHRM4
SCHEMBL428100 0.89 WNK1 (0.53) KDM4EMEN1KMT2ALMNACCR5
SCHEMBL14937606 0.88 KDM4E (0.51) KDM4EMEN1KMT2ALMNAALOX15
SCHEMBL16439302 0.88 KDM4E (0.47) KDM4EMEN1KMT2ALMNACCR5
SCHEMBL16433132 0.87 KDM4E (0.44) KDM4EMEN1KMT2ALMNACCR5
Hydrochloric Acid SCHEMBL16433032 0.87 KDM4E (0.46) KDM4EMEN1KMT2ALMNACCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 — — 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-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors FAAH, FAAH2, HRH2 KDM4E 998/4885MEN1 3476/4885KMT2A 1040/4885

“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.

Send feedback