SCHEMBL19971769

SCHEMBL19971769

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.41
▸ DRD5 P21918 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ GPR183 P32249 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MGLL Q99685 2/20 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
SCHEMBL19971774 0.93 MGLL (0.44) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL19847938 0.88 MGLL (0.39) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL19834022 0.86 MGLL (0.49) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL19971773 0.80 MGLL (0.41) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL19971767 0.80 MGLL (0.47) CNR1DRD5SLC6A2HTR2AHTR2C
SCHEMBL19833992 0.80 MGLL (0.57) MGLL
SCHEMBL22386185 0.73 HTR1A (0.40) CNR1MAPTUSP2ALDH1A1TSHR
SCHEMBL22386268 0.73 MGLL (0.45) MAPTALDH1A1TSHRHPGDKMT2A
SCHEMBL19833726 0.70 MGLL (0.58) MAPTMGLL
SCHEMBL19971775 0.70 MAOB (0.40) TMEM97ALDH1A1TSHRKMT2AMGLL

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 CNR1 89/4885DRD5 824/4885SLC6A2 881/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT CNR1 89/4885DRD5 824/4885SLC6A2 881/4885

“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.

Send feedback