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SCHEMBL418406

SCHEMBL418406

c1ccc2c(c1)cnn2-c1ccc2nc3n(c2c1)CCN(C1CCC1)CC3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.37
▸ MAPK10 P53779 2/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPT P10636 5/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KDM4E B2RXH2 6/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MGAM O43451 1/20 0.33

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
SCHEMBL7886238 0.93 MAPT (0.41) MAPK8MAPK10LRRK2CYP11B1CYP11B2
SCHEMBL421387 0.81 ALDH1A1 (0.40) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL422382 0.81 HRH3 (0.41) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL421170 0.80 ALDH1A1 (0.42) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL418959 0.80 FGFR1 (0.39) HRH3
SCHEMBL417681 0.79 HRH3 (0.53) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL418407 0.78 LRRK2 (0.39) LRRK2CYP11B1CYP11B2RAB9AGAA
SCHEMBL420264 0.78 SLC18A3 (0.44) HRH3DRD3CYP2D6CYP2C19
SCHEMBL418330 0.77 CHRM1 (0.44) MAPTOPRM1OPRD1OPRK1OGFRL1
SCHEMBL7891067 0.77 KDM2B (0.39) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1

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 6 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
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 — — EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 — — US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 — — WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 — — 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPK8 2788/4885MAPK10 2224/4885LRRK2 202/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPK8 2788/4885MAPK10 2224/4885LRRK2 202/4885

“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.