SCHEMBL323730

SCHEMBL323730

c1ccc(CN2CCNCC3(CC3)C2)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.76
CYP3A4 P08684 7/20 0.76
TSHR P16473 3/20 0.76
SIGMAR1 Q99720 2/20 0.62
CYP2C19 P33261 3/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP2C9 P11712 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HIF1A Q16665 1/20 0.56
CYP1A2 P05177 2/20 0.54
USP2 O75604 2/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1426593 0.89 CYP2D6 (0.84) CYP2D6CYP3A4TSHRSIGMAR1CYP2C19
Hydrochloric Acid SCHEMBL3013775 0.88 CYP2D6 (0.82) CYP2D6CYP3A4TSHRSIGMAR1CYP2C19
SCHEMBL1509461 0.87 CYP2D6 (0.89) CYP2D6CYP3A4TSHRCYP2C19ALDH1A1
SCHEMBL17609032 0.87 CYP2D6 (0.84) CYP2D6CYP3A4TSHRCYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL17608851 0.85 CYP2D6 (0.87) CYP2D6CYP3A4TSHRCYP2C19ALDH1A1
SCHEMBL1426377 0.84 CYP2D6 (0.67) CYP2D6CYP3A4TSHRSIGMAR1CYP2C19
SCHEMBL4292159 0.84 CYP2D6 (0.76) CYP2D6CYP3A4TSHRSIGMAR1CYP2C19
SCHEMBL1732446 0.80 CYP2D6 (0.65) CYP2D6CYP3A4TSHRSIGMAR1CYP2C19
SCHEMBL15985246 0.80 CYP2D6 (0.60) CYP2D6CYP3A4TSHRSIGMAR1CYP2C19
SCHEMBL4130505 0.79 TSHR (0.82) CYP2D6CYP3A4TSHRSIGMAR1CYP2C19

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
US-9586961-B2 Homopiperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use thereof LEO PHARMA A/S (DK) 2017-03-07 US disclosed
US-9586961-B2 Homopiperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use thereof LEO PHARMA A/S (DK) 2017-03-07 US disclosed
EP-2590981-B1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2014-09-03 EP disclosed
EP-2590981-B1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2014-09-03 EP disclosed
US-20130172325-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2013-07-04 US disclosed
US-20130172325-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2013-07-04 US disclosed
US-20130172325-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2013-07-04 US disclosed
EP-2590981-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-05-15 EP disclosed
WO-2012003829-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-01-12 WO disclosed
WO-2012003829-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-01-12 WO 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-20130172325-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 CYP2D6 1638/4885CYP3A4 1139/4885TSHR 42/4885

“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.