SCHEMBL9688525

SCHEMBL9688525

COc1ccnc(C(C)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.53
CCR5 P51681 1/20 0.53
CCR8 P51685 1/20 0.53
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
NOS2 P35228 2/20 0.50
PLAU P00749 1/20 0.46
DYRK1A Q13627 3/20 0.46
RIOK2 Q9BVS4 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LMNA P02545 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TAAR1 Q96RJ0 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
SCHEMBL27028351 1.00 CCR1 (0.53) CCR1CCR5CCR8NOS3NOS1
SCHEMBL21056504 0.86 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL2627856 0.84 CCR1 (0.57) CCR1CCR5CCR8NOS3NOS1
SCHEMBL27132389 0.81 KMT2A (0.47) NOS1NOS2CYP11B1CYP11B2MAPK1
SCHEMBL27028354 0.81 KMT2A (0.47) NOS1NOS2CYP11B1CYP11B2MAPK1
SCHEMBL27028346 0.81 KMT2A (0.47) NOS1NOS2CYP11B1CYP11B2MAPK1
SCHEMBL5664369 0.81 NOS3 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL16937858 0.80 CCR1 (0.48) CCR1CCR5CCR8NOS3NOS1
SCHEMBL24128118 0.79 CCR1 (0.52) CCR1CCR5CCR8NOS3NOS1
Hydrochloric Acid SCHEMBL29767284 0.79 NOS3 (0.53) CCR1CCR5CCR8NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115629-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2025-04-10 US disclosed
EP-4308580-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES Boehringer Ingelheim International GmbH (DE) 2024-01-24 EP disclosed
WO-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed
WO-2022194924-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-09-22 WO disclosed
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
EP-0201575-B1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1992-08-12 EP disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 US disclosed
EP-0201575-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1986-11-20 EP disclosed
WO-1986002646-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-05-09 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 (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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 CCR1 666/4885CCR5 1465/4885CCR8 900/4885
US-20250115629-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES TYMP, RNGTT, TYMS CCR1 2285/4885CCR5 1748/4885CCR8 3906/4885

“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.