SCHEMBL5032377

SCHEMBL5032377

O=C1CCCC2CCCCN12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
BRCA1 P38398 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 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
SCHEMBL19271810 0.95 NOS3 (0.43) NOS3NOS1DPP4DPP8DPP9
SCHEMBL33526075 0.93 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL6088399 0.93 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL10633018 0.93 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL1954285 0.93 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL868782 0.93 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL8031217 0.93 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL867932 0.93 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL10427141 0.93 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL4941511 0.93 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP claimed
US-20230067929-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2023-03-02 US disclosed
US-9981968-B2 Substituted pyrrolo[2,3-d]pyrimidines for the treatment of cancer and proliferative disorders NORTHWESTERN UNIVERSITY (US) 2018-05-29 US disclosed
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-20110237538-A1 TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES SUMMIT CORPORATION PLC (GB) 2011-09-29 US disclosed
US-20110237538-A1 TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES SUMMIT CORPORATION PLC (GB) 2011-09-29 US disclosed
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2011-08-11 US disclosed
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2011-08-11 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
EP-0693068-B1 PHENYLPYRROLE DERIVATIVES AND THEIR USE AS ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1998-07-29 EP disclosed
US-5688790-A Phenylpyrrole derivatives and their use as antipsychotic agents SMITHKLINE BEECHAM PLC (GB) 1997-11-18 US disclosed
EP-0710237-A1 QUINOLIZIDINES WITH CALCIUM CHANNEL ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-05-08 EP disclosed
EP-0693068-A1 PHENYLPYRROLE DERIVATIVES AND THEIR USE AS ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-01-24 EP disclosed
WO-1995003302-A1 QUINOLIZIDINES WITH CALCIUM CHANNEL ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-02-02 WO disclosed
WO-1994024129-A1 PHENYLPYRROLE DERIVATIVES AND THEIR USE AS ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1994-10-27 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 (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-20110237538-A1 TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES GAA, MAN2B1, GBA1 NOS3 4107/4885NOS1 4051/4885DPP4 1074/4885
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS GPI, GALE, HAVCR2 NOS3 4046/4885NOS1 4102/4885DPP4 265/4885
US-20230067929-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF CANCER SLC10A1, SLC6A6, SLC10A6 NOS3 2479/4885NOS1 2882/4885DPP4 2425/4885

“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.