SCHEMBL3493199

SCHEMBL3493199

CCc1c(C(=O)O)c(-c2ccccc2)nn1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 2/20 0.49
F2RL3 Q96RI0 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
GRN P28799 2/20 0.43
SORT1 Q99523 2/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3491683 0.75 POLB (0.52) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19209464 0.75 MAPK1 (0.60) POLBMEN1KMT2AALDH1A1F2RL3
SCHEMBL3494751 0.72 ALDH1A1 (0.52) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4705975 0.72 CSF1R (0.66) MEN1KMT2AALDH1A1SMN1; SMN2PDE4A
SCHEMBL14586257 0.70 MEN1 (0.65) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21332927 0.70 NR4A3 (0.60) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6442051 0.69 PTGDR2 (0.46) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4051575 0.69 CSF1R (0.56) MEN1KMT2ASMN1; SMN2PDE4APDE4B
SCHEMBL14482152 0.69 MEN1 (0.56) POLBMEN1KMT2APTGDR2CYP1A2
SCHEMBL23400818 0.69 KDM4E (0.51) POLBMEN1KMT2AALDH1A1F2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 POLB 1984/4885MEN1 750/4885KMT2A 952/4885

“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.