Sugi Predict

Sugi Predict / Compounds / SCHEMBL9700346

SCHEMBL9700346

SCHEMBL9700346

Cc1c(C(=O)c2ccc3ccccc3c2)c2cccc3c2n1C(CN1CCOCC1)CO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 1.00
▸ CNR2 P34972 6/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ CYP2C9 P11712 2/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ KMT2A Q03164 1/20 1.00
▸ ALDH1A1 P00352 3/20 0.77
▸ MAPT P10636 1/20 0.77
▸ NPC1 O15118 1/20 0.77
▸ MTOR P42345 1/20 0.77
▸ RAB9A P51151 1/20 0.77
▸ RGS12 O14924 1/20 0.72
▸ GMNN O75496 1/20 0.72
▸ LMNA P02545 1/20 0.72
▸ TP53 P04637 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ ALOX15 P16050 1/20 0.72
▸ NFKB1 P19838 1/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ CYP2C19 P33261 1/20 0.72

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
SCHEMBL3458112 1.00 CNR1 (1.00) CNR1CNR2CYP3A4CYP2C9MEN1
SCHEMBL9701686 0.94 CNR1 (0.88) CNR1CNR2CYP3A4CYP2C9MEN1
SCHEMBL9699308 0.92 CNR1 (0.85) CNR1CNR2CYP3A4CYP2C9MEN1
SCHEMBL9701630 0.92 CNR1 (0.84) CNR1CNR2CYP3A4CYP2C9MEN1
SCHEMBL9700496 0.91 CNR1 (0.83) CNR1CNR2CYP3A4CYP2C9MEN1
SCHEMBL9701712 0.89 CNR1 (0.82) CNR1CNR2CYP3A4CYP2C9MEN1
SCHEMBL9700575 0.89 CNR1 (0.80) CNR1CNR2CYP3A4CYP2C9MEN1
SCHEMBL9700247 0.88 CNR1 (0.79) CNR1CNR2CYP3A4CYP2C9MEN1
SCHEMBL9700259 0.88 CNR1 (0.79) CNR1CNR2CYP3A4CYP2C9MEN1
SCHEMBL9700473 0.88 CNR1 (0.78) CNR1CNR2CYP3A4CYP2C9MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020232350-A1 ASSAYS FOR SYNTHETIC CANNABINOIDS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-11-19 — — WO disclosed
US-20150150844-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER SUTTER BAY HOSPITALS 2015-06-04 — — US disclosed
US-20150150844-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER SUTTER BAY HOSPITALS 2015-06-04 — — US disclosed
US-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 — — US disclosed
US-5109135-A 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates STERLING DRUG INC. (US) 1992-04-28 — — US disclosed
US-5066803-A Chemical intermediates for analgesics STERLING DRUG INC. (US) 1991-11-19 — — US disclosed
WO-1990007505-A1 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES STERLING DRUG INC. (US) 1990-07-12 — — WO 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-20150150844-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER CNR2, CNR1, JUP CNR1 2/4885CNR2 1/4885CYP3A4 4056/4885

“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.