SCHEMBL2069683

SCHEMBL2069683

Clc1ccc(-c2ccc(OCC3CCCNC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.51
MAP2K1 Q02750 1/20 0.50
CHEK2 O96017 1/20 0.48
KDM1A O60341 1/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 1/20 0.48
NPY1R P25929 4/20 0.47
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 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
SCHEMBL13107005 0.96 LTA4H (0.55) LTA4HMAP2K1CHEK2KDM1ASLC6A2
SCHEMBL1682660 0.87 CHRNB2 (0.56) LTA4HMAP2K1CHEK2KDM1ASLC6A2
SCHEMBL17848466 0.86 SLC6A2 (0.61) LTA4HMAP2K1KDM1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1682633 0.86 CHRNB2 (0.55) LTA4HMAP2K1CHEK2KDM1ASLC6A2
Tert-Butyl Formate SCHEMBL28832674 0.82 MAP2K1 (0.46) LTA4HMAP2K1CHEK2KDM1ASLC6A2
SCHEMBL13107024 0.81 MAP2K1 (0.53) MAP2K1CHEK2KDM1ASLC6A2SLC6A4
SCHEMBL3443378 0.81 TDP1 (0.65) MAP2K1CHEK2KDM1ASLC6A2SLC6A4
SCHEMBL12622443 0.81 KDM1A (0.60) MAP2K1CHEK2KDM1ASLC6A2SLC6A4
SCHEMBL14577922 0.81 LTA4H (0.56) LTA4HMAP2K1CHEK2KDM1ASLC6A2
SCHEMBL4238409 0.81 SLC6A2 (0.66) MAP2K1CHEK2KDM1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 EP disclosed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 EP 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-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative PPARA, PPARG, PPARD LTA4H 1545/4885MAP2K1 3202/4885CHEK2 3810/4885

“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.