SCHEMBL3878573

SCHEMBL3878573

Cc1cc(Br)ccc1CN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
GFER P55789 1/20 0.58
KDM4E B2RXH2 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CCR5 P51681 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 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
SCHEMBL21551100 0.86 KDM4E (0.49) TSHRGFERKDM4ETDP1SMN1; SMN2
SCHEMBL2800989 0.86 KMT2A (0.60) TSHRGFERKDM4ETDP1SMN1; SMN2
SCHEMBL3641216 0.85 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2802106 0.85 CYP2A13 (0.61) KDM4ETDP1KMT2ACCR5MAPK1
SCHEMBL20198190 0.85 LMNA (0.59) TSHRGFERKDM4ETDP1CYP1A2
SCHEMBL15094020 0.82 KDM4E (0.42) TSHRGFERKDM4ETDP1SMN1; SMN2
SCHEMBL2801015 0.82 KMT2A (0.50) TSHRGFERKDM4ETDP1SMN1; SMN2
SCHEMBL6796136 0.81 GRIN2B (0.58) TDP1SMN1; SMN2KMT2AMAPK1ALDH1A1
SCHEMBL4478008 0.81 GFER (0.61) TSHRGFERKDM4ETDP1SMN1; SMN2
SCHEMBL30596580 0.80 GRIN2B (0.57) KDM4ETDP1SMN1; SMN2KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-20060128690-A1 Amine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-15 US disclosed
EP-1593667-A1 AMINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 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-20060128690-A1 Amine derivative MC1R, MC2R, MC4R TSHR 38/4885GFER 2891/4885KDM4E 1415/4885

“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.