SCHEMBL6173389

SCHEMBL6173389

O=C(O)C1CCC(OCc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
S1PR5 Q9H228 1/20 0.47
BCHE P06276 2/20 0.46
CCR5 P51681 1/20 0.46
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NR4A2 P43354 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL6173390 1.00 CARM1 (0.47) CARM1PRMT6S1PR5BCHECCR5
SCHEMBL16761773 1.00 CARM1 (0.47) CARM1PRMT6S1PR5BCHECCR5
SCHEMBL31381168 0.86 S1PR5 (0.48) CARM1PRMT6S1PR5BCHECCR5
SCHEMBL31381299 0.86 S1PR5 (0.48) CARM1PRMT6S1PR5BCHECCR5
SCHEMBL2278661 0.85 ALDH1A1 (0.57) CARM1PRMT6S1PR5BCHEALDH1A1
SCHEMBL19515095 0.85 ALDH1A1 (0.57) CARM1PRMT6S1PR5BCHEALDH1A1
SCHEMBL31381221 0.82 S1PR1 (0.53) CARM1PRMT6S1PR5BCHEALDH1A1
SCHEMBL16761813 0.82 KMT2A (0.63) CCR5MAPTALDH1A1MEN1KMT2A
SCHEMBL16761796 0.82 KMT2A (0.63) CCR5MAPTALDH1A1MEN1KMT2A
SCHEMBL6172918 0.82 KMT2A (0.63) CCR5MAPTALDH1A1MEN1KMT2A

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
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 EP disclosed
US-6949543-B2 Amide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-27 US disclosed
EP-1340750-B1 AMIDE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 EP disclosed
US-20040034232-A1 Amide derivative ASTELLAS PHARMA INC. (JP) 2004-02-19 US disclosed
EP-1340750-A1 AMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-03 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 (2 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 CARM1 206/4885PRMT6 298/4885S1PR5 3888/4885
US-20040034232-A1 Amide derivative HDAC2, ZC3HAV1, HDAC4 CARM1 2186/4885PRMT6 2408/4885S1PR5 4487/4885

“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.