SCHEMBL3787276

SCHEMBL3787276

OBO.c1ccc(N(C2CC2)C2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MITF O75030 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
ESR1 P03372 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
PKM P14618 1/20 0.33
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
CHRM3 P20309 2/20 0.32

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
SCHEMBL2346417 0.91 TAAR1 (0.42) TAAR1HTTALDH1A1MITFSMN1; SMN2
SCHEMBL3785464 0.90 KDM4E (0.47) ALDH1A1MITFSMN1; SMN2MEN1KMT2A
SCHEMBL24537399 0.82 KDM4E (0.47) TAAR1ALDH1A1MITFSMN1; SMN2MEN1
SCHEMBL26191606 0.82 ACHE (0.38) TAAR1HTTMEN1KMT2AGAA
SCHEMBL17704661 0.82 ACHE (0.38) TAAR1HTTMEN1KMT2AGAA
SCHEMBL28581310 0.81 KDM4E (0.46) TAAR1HTTALDH1A1MITFSMN1; SMN2
SCHEMBL24537393 0.80 OPRL1 (0.40) TAAR1HTTALDH1A1KDM4ELMNA
SCHEMBL8140722 0.80 OPRL1 (0.40) TAAR1HTTALDH1A1KDM4ELMNA
SCHEMBL24537983 0.80 OPRL1 (0.40) TAAR1HTTALDH1A1KDM4ELMNA
SCHEMBL620016 0.79 KDM4E (0.49) ALDH1A1MITFSMN1; SMN2MEN1KMT2A

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TAAR1 1746/4885HTT 3090/4885ALDH1A1 4339/4885

“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.