SCHEMBL631308

SCHEMBL631308

O=C1Nc2ccc(F)cc2C2(CCNCC2)O1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
PGR P06401 4/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCR2 P41597 2/20 0.41
PLD2 O14939 3/20 0.40
PLD1 Q13393 3/20 0.40
HTR2C P28335 2/20 0.40
NR3C1 P04150 2/20 0.39
NR3C2 P08235 2/20 0.39
AR P10275 2/20 0.39
DPP4 P27487 1/20 0.36
AKR1B1 P15121 3/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1A1 P14550 1/20 0.35

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
SCHEMBL653433 0.82 PGR (0.46) PGRMAPTHTR2CNR3C1NR3C2
SCHEMBL31122188 0.82 PGR (0.46) PGRMAPTHTR2CNR3C1NR3C2
SCHEMBL651526 0.82 CCR2 (0.47) PGRCYP1A2CYP2C19CCR2NR3C1
SCHEMBL13864851 0.82 CCR2 (0.50) KMT2APGRMAPTCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL10917557 0.81 PGR (0.45) PGRMAPTHTR2CNR3C1NR3C2
SCHEMBL28606439 0.79 PGR (0.47) KMT2APGRHTR2CAKR1B1
SCHEMBL3848075 0.79 PLD2 (0.47) KMT2APGRMAPTCCR2PLD2
SCHEMBL722997 0.78 BACE1 (0.47) KMT2AMAPTPLD2PLD1
SCHEMBL22057308 0.78 NPY5R (0.45) MAPTHTR2CDPP4AKR1B1AKR1A1
Hydrochloric Acid SCHEMBL1285606 0.77 MAPK1 (0.49) KMT2AMAPTPLD2PLD1

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-2024229262-A1 NARROW-SPECTRUM ANTIBIOTIC COMPOUNDS AND USES THEREOF MCMASTER UNIVERSITY (CA) 2024-11-07 WO disclosed
EP-2099806-B1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2099806-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-09-16 EP disclosed
US-7470684-B2 Spiropiperidine derivatives as NK3 antagonists HOFFMANN-LA ROCHE INC. (US) 2008-12-30 US disclosed
US-20080176839-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-24 US disclosed
WO-2008081012-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO disclosed
WO-2001022919-A2 SPIRO[BICYCLIC -AZACYCLOALKYL AND -CYCLOALKYL] DERIVATIVES AND USES THEREOF MERCK & CO., INC. (US) 2001-04-05 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-20080176839-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS ADRB3, KCNK3, KCND3 KMT2A 1607/4885PGR 764/4885MAPT 1645/4885

“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.