SCHEMBL10176868

SCHEMBL10176868

CC1(F)CCCN(Cc2ccc3c(c2)nc2n3CCN(C3CCC3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 7/20 0.39
GAA P10253 2/20 0.39
HRH3 Q9Y5N1 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM2 Q14416 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL7889294 0.95 MAPT (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL421697 0.91 GRM2 (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10176851 0.90 MAPT (0.42) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL422489 0.88 GRM2 (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL420422 0.85 MAPT (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL419692 0.85 HRH3 (0.48) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL419780 0.82 HRH3 (0.48) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10176848 0.81 ACHE (0.44) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL421278 0.81 GRM2 (0.42) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10176773 0.81 MAPT (0.42) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 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 (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-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 738/4885ALDH1A1 2598/4885SMN1; SMN2 991/4885

“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.