SCHEMBL7548165

SCHEMBL7548165

c1cc(C2CNCC[N]2)c2cc[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.41
HTR6 P50406 1/20 0.41
AHR P35869 2/20 0.39
PIK3CD O00329 1/20 0.36
HTR2C P28335 5/20 0.36
ADRB2 P07550 1/20 0.36
HTR2A P28223 3/20 0.33
HTR2B P41595 3/20 0.33
HTR1A P08908 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
CHRNA7 P36544 2/20 0.32
KCNH2 Q12809 1/20 0.32
IDH2 P48735 1/20 0.32
RHEB Q15382 3/20 0.32
MAPK1 P28482 1/20 0.32
TRPA1 O75762 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL9425517 0.79 HTR1A (0.39) ADRB1HTR6AHRPIK3CDADRB2
SCHEMBL1254418 0.78 KDM1A (0.45) HTR6HTR2AHTR1AMAPK1
SCHEMBL4721303 0.75 NISCH (0.36) HTR2CHTR2AHTR2BHTR1AKCNH2
SCHEMBL10491761 0.73 JAK2 (0.46) ADRB1HTR6HTR2CADRB2HTR2A
SCHEMBL1255263 0.72 HTR2C (0.50) ADRB1HTR6HTR2CHTR2AHTR2B
SCHEMBL1255256 0.72 HTR2C (0.42) ADRB1HTR6HTR2CHTR2AHTR2B
SCHEMBL9703831 0.72 DRD2 (0.46) ADRB1HTR6AHRHTR2AHTR1A
Hydrochloric Acid SCHEMBL11136214 0.72 JAK2 (0.45) ADRB1HTR6HTR2CADRB2HTR2A
SCHEMBL2204913 0.71 HTR2C (0.47) HTR2CHTR2AHTR2BHTR1A
SCHEMBL3549378 0.71 KDM1A (0.42) HTR2CHTR2AHTR2BHTR1ACHRNA7

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 10 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
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

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 ADRB1 907/4885HTR6 1733/4885AHR 25/4885

“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.