SCHEMBL7865281

SCHEMBL7865281

NCc1ccccc1CCl

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.56
DPP4 P27487 3/20 0.48
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 6/20 0.41
LOXL2 Q9Y4K0 2/20 0.39
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL29350459 0.85 TSHR (0.50) PNMTDPP4ALDH1A1TSHRTAAR1
SCHEMBL150237 0.85 TSHR (0.50) PNMTDPP4ALDH1A1TSHRTAAR1
SCHEMBL29405036 0.85 PNMT (0.63) PNMTDPP4TAAR1LOXL2CYP2A6
SCHEMBL15247 0.85 PNMT (0.63) PNMTDPP4TAAR1LOXL2CYP2A6
SCHEMBL28683639 0.82 PNMT (0.62) PNMTDPP4TAAR1LOXL2CYP2A6
Water SCHEMBL7618285 0.82 PNMT (0.60) PNMTDPP4TAAR1LOXL2CYP2A6
Water SCHEMBL6142580 0.82 PNMT (0.60) PNMTDPP4TAAR1LOXL2CYP2A6
Hydrochloric Acid SCHEMBL2522138 0.82 PNMT (0.60) PNMTDPP4TAAR1LOXL2CYP2A6
Hydrochloric Acid SCHEMBL31276815 0.82 PNMT (0.60) PNMTDPP4TAAR1LOXL2CYP2A6
Benzene SCHEMBL734438 0.82 DPP4 (0.62) PNMTDPP4TAAR1LOXL2CYP2A6

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
EP-3475282-B1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN LA ROCHE (CH) 2023-08-09 EP disclosed
EP-4108665-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR F. Hoffmann-La Roche AG (CH) 2022-12-28 EP disclosed
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-20190127384-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed
US-6320058-B2 SUBJECTING SOLUTION OF PHTHALONITRILE IN TETRAHYDROFURAN, MIXTURE OF TETRAHYDROFURAN AND WATER, OR DIMETHOXYETHANE TO HYDROGEN PRESSURE OF 100 TO 180 BARS, AT TEMPERATURE OF 30 TO 100 DEGREES C., AND IN PRESENCE OF 5% PLATINUM ON CARBON ADIR ET COMPAGNIE (FR) 2001-11-20 US disclosed
US-20010023294-A1 New process for the preparation of isoindoline KISSEI PHARMACEUTICAL COMPANY LTD (JP) 2001-09-20 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 (3 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-20190127384-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR CNR2, CNR1, P2RY2 PNMT 603/4885DPP4 3203/4885ALDH1A1 2101/4885
US-20010023294-A1 New process for the preparation of isoindoline HPD, GABRB2, NISCH PNMT 1830/4885DPP4 623/4885ALDH1A1 420/4885
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor CNR2, CNR1, P2RY2 PNMT 603/4885DPP4 3203/4885ALDH1A1 2101/4885

“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.