SCHEMBL9938705

SCHEMBL9938705

CCCNCc1ccc(CNCCC)nn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
CHRM2 P08172 1/20 0.34
IDO1 P14902 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.32
S1PR3 Q99500 2/20 0.32
GRIN2B Q13224 1/20 0.32
ELANE P08246 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MCHR1 Q99705 1/20 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
SCHEMBL14972477 0.80 CTDSP1 (0.41) SMN1; SMN2CHRM2CYP1A2
SCHEMBL13614140 0.73 MAOA (0.46) MAOAMAOBCYP1A2
SCHEMBL434742 0.73 CHRM2 (0.68) MAOAMAOBHRH3SMN1; SMN2CHRM2
SCHEMBL24613090 0.71 EPHX2 (0.64) SMN1; SMN2EPHX2LMNAGRIN2BMCHR1
SCHEMBL22564633 0.71 SMN1; SMN2 (0.64) MAOAMAOBSMN1; SMN2CHRM2
Hydrochloric Acid SCHEMBL5379220 0.71 CHRM2 (0.66) MAOAMAOBHRH3SMN1; SMN2CHRM2
SCHEMBL24258303 0.70 KDM1A (0.46) MAOAMAOBMCHR1
SCHEMBL20042027 0.70 GBA1 (0.47)
SCHEMBL7992679 0.70 ALDH1A1 (0.44) HRH3S1PR3
SCHEMBL23948656 0.70 EPHX2 (0.43) SMN1; SMN2CYP1A2CYP2D6CYP2C19EPHX2

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-10290819-B2 Metal complexes MERCK PATENT GMBH (DE) 2019-05-14 US disclosed
US-10290819-B2 Metal complexes MERCK PATENT GMBH (DE) 2019-05-14 US disclosed
US-20130284977-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
US-20130284977-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
US-20130284977-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
WO-2012079741-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-06-21 WO disclosed
WO-2012079741-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-06-21 WO 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-10290819-B2 Metal complexes PICALM, IMMT, IKZF3 MAOA 3863/4885MAOB 3448/4885HRH4 3717/4885

“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.