SCHEMBL19971774

SCHEMBL19971774

O=C(c1cc2c(cc1F)OCCN2)N1CCC(O)(COc2ccc(F)cc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 2/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ CNR1 P21554 5/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ GPR183 P32249 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ GAA P10253 1/20 0.37

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
SCHEMBL19971769 0.93 CNR1 (0.41) MGLLPARP1CNR1DRD5SLC6A2
SCHEMBL19971773 0.87 MGLL (0.41) MGLLNPC1RAB9APARP1CNR1
SCHEMBL19833992 0.86 MGLL (0.57) MGLLNPC1RAB9A
SCHEMBL19971767 0.86 MGLL (0.47) MGLLNPC1RAB9APARP1CNR1
SCHEMBL19847938 0.81 MGLL (0.39) MGLLCNR1DRD5SLC6A2HTR2A
SCHEMBL19834022 0.80 MGLL (0.49) MGLLCNR1DRD5SLC6A2HTR2A
SCHEMBL19833805 0.76 MGLL (0.57) MGLLNPC1RAB9A
SCHEMBL22386268 0.75 MGLL (0.45) MGLLNPC1RAB9APARP1
SCHEMBL19833774 0.73 MGLL (0.56) MGLL
SCHEMBL19833715 0.73 MGLL (0.55) MGLLNPC1RAB9A

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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