SCHEMBL1269697

SCHEMBL1269697

O=C1CC(c2ccc(F)cc2)CN1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
PDE4A P27815 8/20 0.53
PDE4B Q07343 4/20 0.53
PDE4C Q08493 4/20 0.53
PDE4D Q08499 4/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
PKM P14618 1/20 0.53
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.47
THRB P10828 1/20 0.46
MTNR1A P48039 1/20 0.44
VEGFA P15692 1/20 0.43

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
SCHEMBL12562573 0.81 ALDH2 (0.46) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL28169080 0.81 ALDH2 (0.46) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL21053510 0.81 PDE4A (0.49) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL18640884 0.81 PDE4A (0.49) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL19996026 0.81 PDE4A (0.49) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL10200945 0.81 TSHR (0.57) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL22831445 0.81 TSHR (0.57) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL18590504 0.81 TSHR (0.61) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL20475320 0.81 TSHR (0.57) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL560686 0.81 TSHR (0.57) TSHRPDE4APDE4BPDE4CPDE4D

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
WO-2025099451-A1 NEW COMPOUNDS AND METHODS Transition Bio Limited (GB) 2025-05-15 WO disclosed
US-11518754-B2 Radiolabeled pharmaceuticals and methods of making and using same YALE UNIVERSITY (US) 2022-12-06 US disclosed
US-11518754-B2 Radiolabeled pharmaceuticals and methods of making and using same YALE UNIVERSITY (US) 2022-12-06 US disclosed
WO-2018152339-A1 RADIOLABELED PHARMACEUTICALS AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2018-08-23 WO disclosed
US-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 US disclosed
US-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 US disclosed
US-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 US disclosed
US-4699918-A ANTICOAGULANTS, ANTIARRHYTHMIA AGENTS LABORATOIRES JACQUES LOGEAIS (FR) 1987-10-13 US disclosed
US-4556674-A ANTICOAGULANTS, ANTIARRHYTHMIA AGENTS LABORATOIRES JACQUES LOGEAIS (FR) 1985-12-03 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP TSHR 4679/4885PDE4A 639/4885PDE4B 686/4885
US-11518754-B2 Radiolabeled pharmaceuticals and methods of making and using same SLC18A2, SLC18A3, SLC1A2 TSHR 1884/4885PDE4A 1033/4885PDE4B 1239/4885

“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.