SCHEMBL3775951

SCHEMBL3775951

Cc1n[nH]c2ccnc(N3CCN(c4cccc(Cl)c4)CC3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KCNH2 Q12809 3/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
RPS6KB1 P23443 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL1790676 0.81 MAPT (0.64) MAPTLMNARAB9ASMN1; SMN2KCNH2
SCHEMBL3774904 0.79 HRH4 (0.46) KCNH2
SCHEMBL3808253 0.76 LRRK2 (0.62)
SCHEMBL3772992 0.76 KDM4E (0.51) MAPTLMNASMN1; SMN2KCNH2KDM4E
SCHEMBL3766743 0.72 CYP2D6 (0.43) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL3777374 0.70 TTBK1 (0.51)
SCHEMBL3766786 0.70 GRIN2D (0.50) MAPTLMNASMN1; SMN2CHRM1ADRA1A
SCHEMBL11100857 0.70 ALDH1A1 (0.75) MAPTLMNASMN1; SMN2KCNH2HTR1A
SCHEMBL6714846 0.70 ALDH1A1 (0.75) MAPTLMNASMN1; SMN2KCNH2HTR1A
SCHEMBL1789413 0.70 RPS6KB1 (0.61) MAPTLMNARAB9ASMN1; SMN2RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 MAPT 4568/4885LMNA 2925/4885RAB9A 679/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 MAPT 4576/4885LMNA 2870/4885RAB9A 669/4885

“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.