SCHEMBL19971767

SCHEMBL19971767

CC1(COc2ccc(F)cc2Cl)CN(C(=O)c2cc3c(cc2F)OCCN3)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.47
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ DRD5 P21918 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ GPR183 P32249 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36

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
SCHEMBL19971773 0.91 MGLL (0.41) MGLLNPC1RAB9APARP1CNR1
SCHEMBL19833715 0.86 MGLL (0.55) MGLLNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL19971774 0.86 MGLL (0.44) MGLLNPC1RAB9AGAAPARP1
SCHEMBL19971769 0.80 CNR1 (0.41) MGLLGAAPARP1ALDH1A1CNR1
SCHEMBL19833774 0.77 MGLL (0.56) MGLL
SCHEMBL22386268 0.75 MGLL (0.45) MGLLNPC1RAB9APARP1ALDH1A1
SCHEMBL19833992 0.73 MGLL (0.57) MGLLNPC1RAB9A
SCHEMBL19833805 0.71 MGLL (0.57) MGLLNPC1RAB9A
SCHEMBL19833794 0.70 MGLL (0.67) MGLLNPC1RAB9A
SCHEMBL19833803 0.69 MGLL (0.79) MGLLGAA

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-10106556-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-23 — — US disclosed
US-20180079756-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 — — 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-20180079756-A1 HETEROCYCLIC COMPOUND MAG, ACHE, HTT MGLL 129/4885NPC1 773/4885RAB9A 450/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MGLL 129/4885NPC1 773/4885RAB9A 450/4885

“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.

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