SCHEMBL7548161

SCHEMBL7548161

c1ccc2[nH]c(N3CC[N]CC3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.41
CDC25B P30305 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
AOC3 Q16853 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HRH4 Q9H3N8 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
FLT3 P36888 1/20 0.37
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 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
SCHEMBL8087823 0.84 HRH3 (0.50) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL29684111 0.82 HRH3 (0.49) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL2940750 0.82 HRH3 (0.49) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL38661680 0.81 HRH3 (0.53) APAF1CDC25BCASP3SENP8SENP7
Hydrochloric Acid SCHEMBL3714613 0.81 HRH3 (0.47) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL92726 0.81 HRH3 (0.53) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL9704853 0.79 APAF1 (0.63) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL21047717 0.78 APAF1 (0.47) APAF1CDC25BCASP3SENP8SENP7
Pyrimidine SCHEMBL28765153 0.76 BCHE (0.44) APAF1CDC25BCASP3SENP8SENP7
Pyrrole SCHEMBL28092910 0.76 HRH3 (0.50) APAF1CDC25BCASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8319274-A None JP disclosed
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
EP-0737678-B1 4-Indolylpiperazinyl derivatives AMERICAN HOME PROD (US) 2002-06-19 EP disclosed
EP-0737678-B1 4-Indolylpiperazinyl derivatives AMERICAN HOME PROD (US) 2002-06-19 EP disclosed
CN-1034865-C 2-Aminopyrimidinone derivatives JANSSEN PHARMACEUTICA NV (BE) 1997-05-14 CN disclosed
JP-H08319274-A 4-INDOLYLPIPERAZINYL DERIVATIVE AMERICAN HOME PROD CORP 1996-12-03 JP disclosed
EP-0737677-A1 4-Indolylpiperazinyl derivates AMERICAN HOME PRODUCTS CORPORATION (US) 1996-10-16 EP disclosed
EP-0737678-A1 4-Indolylpiperazinyl derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1996-10-16 EP disclosed
EP-0737678-A1 4-Indolylpiperazinyl derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1996-10-16 EP disclosed
US-5519025-A 4-indolylpiperazinyl derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-21 US disclosed
US-5486518-A 4-indolylpiperazinyl derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-23 US disclosed
US-5284854-A Antiserotonin. antihistamine agents; for sleep disorders JANSSEN PHARMACEUTICA N.V. (BE) 1994-02-08 US disclosed
US-5256659-A Antiserotonine agents, antihistamines for nervous system disorders or psychological disorders JANSSEN PHARMACEUTICA N.V. (BE) 1993-10-26 US disclosed
US-5140029-A Administering for nervous system, sleep or psychotic disorders JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-18 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 (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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 APAF1 1600/4885CDC25B 1288/4885CASP3 3896/4885

“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.