SCHEMBL1844995

SCHEMBL1844995

CCc1ccc(NCCN2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HRH3 Q9Y5N1 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TRPC5 Q9UL62 1/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
CHRM1 P11229 1/20 0.45
HTR2A P28223 1/20 0.45
MCHR1 Q99705 1/20 0.45
ESRRG P62508 2/20 0.44
DRD3 P35462 1/20 0.43
BACE1 P56817 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43

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
SCHEMBL19251573 0.87 RAB9A (0.53) NPC1RAB9ASMN1; SMN2KMT2ACYP1A2
SCHEMBL13547569 0.84 TRPC5 (0.49) KMT2ACYP2D6TRPC5SIGMAR1
SCHEMBL14175271 0.83 MAPT (0.55) HRH3KMT2AADRA2AADRA2BADRA2C
SCHEMBL13102339 0.81 MAPT (0.57) HRH3KMT2ACYP2D6ADRA2AADRA2B
SCHEMBL23963161 0.81 CHRM1 (0.49) HRH3CYP1A2SIGMAR1CHRM1HTR2A
SCHEMBL10891769 0.79 CNR1 (0.59) HRH3SMN1; SMN2KMT2ASIGMAR1CHRM1
SCHEMBL4804050 0.79 ALDH1A1 (0.50) NPC1RAB9AHRH3SMN1; SMN2KMT2A
SCHEMBL23671492 0.79 SIGMAR1 (0.56) NPC1RAB9ASMN1; SMN2ADRA2AADRA2B
SCHEMBL8673780 0.79 POLB (0.59) NPC1RAB9AHRH3SMN1; SMN2KMT2A
SCHEMBL23963376 0.79 SIGMAR1 (0.47) HRH3ADRA2AADRA2BADRA2CSIGMAR1

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
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 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 (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-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 NPC1 3015/4885RAB9A 1166/4885HRH3 107/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S NPC1 2771/4885RAB9A 1330/4885HRH3 92/4885

“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.