SCHEMBL4716029

SCHEMBL4716029

O=C1Nc2c(F)cccc2C12CCC2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.53
AKR1B1 P15121 2/20 0.42
PGR P06401 9/20 0.41
HDAC4 P56524 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
BACE1 P56817 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
SCHEMBL4717341 0.97 PDE7A (0.56) PDE7AAKR1B1PGRHDAC4
SCHEMBL4078896 0.95 PDE7A (0.59) PDE7AAKR1B1PGRHDAC4
SCHEMBL4810427 0.93 PDE7A (0.51) PDE7AAKR1B1PGRHDAC4CA12
SCHEMBL25355031 0.87 PDE7A (0.47) PDE7AAKR1B1PGRHDAC4CA12
SCHEMBL6637300 0.85 PDE7A (0.49) PDE7AAKR1B1PGRHDAC4CA12
Hydrochloric Acid SCHEMBL6642284 0.84 PDE7A (0.48) PDE7AAKR1B1PGRHDAC4CA12
SCHEMBL29622110 0.79 PDE7A (0.53) PDE7APGRCA12CA1CA2
SCHEMBL4720372 0.75 PDE7A (0.59) PDE7APGR
SCHEMBL13180028 0.75 PGR (0.43) PDE7APGRHDAC4
SCHEMBL28399692 0.74 AKR1B1 (0.46) PDE7AAKR1B1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676590-A1 PHOSPHODIESTERASE 3 (PDE3) INHIBITORS Zoetis Services LLC (US) 2026-01-14 EP disclosed
WO-2025092818-A1 PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE 康百达(四川)生物医药科技有限公司 2025-05-08 WO disclosed
CN-119462695-A Pyridine derivative and application thereof 康百达(四川)生物医药科技有限公司 2025-02-18 CN disclosed
WO-2024191714-A1 PHOSPHODIESTERASE 3 (PDE3) INHIBITORS ZOETIS SERVICES LLC (US) 2024-09-19 WO disclosed
US-20240308973-A1 PHOSPHODIESTERASE 3 (PDE3) INHIBITORS ZOETIS SERVICES LLC 2024-09-19 US disclosed
EP-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS PDE7A 258/4885AKR1B1 594/4885PGR 230/4885
US-20240308973-A1 PHOSPHODIESTERASE 3 (PDE3) INHIBITORS PDE3A, PDE3B, PDE5A PDE7A 20/4885AKR1B1 1981/4885PGR 3895/4885

“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.