SCHEMBL3159987

SCHEMBL3159987

C1CC(N2CCN(C3CCNCC3)CC2)CCN1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
GABRA1 P14867 1/20 0.36
TSHR P16473 1/20 0.36
GABRG2 P18507 1/20 0.36
NFKB1 P19838 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
HTR2C P28335 3/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL2554838 0.97 KMT2A (0.44) HTR6KMT2AHPGDSMN1; SMN2L3MBTL3
Hydrochloric Acid SCHEMBL26135888 0.94 KMT2A (0.47) HTR6KMT2AHPGDSMN1; SMN2L3MBTL3
SCHEMBL336575 0.91 HTR6 (0.50) HTR6KMT2AHPGDSMN1; SMN2L3MBTL3
SCHEMBL1400974 0.91 HTR6 (0.50) HTR6KMT2AHPGDSMN1; SMN2L3MBTL3
SCHEMBL1400723 0.89 HTR6 (0.56) HTR6KMT2AHPGDSMN1; SMN2L3MBTL3
SCHEMBL4821430 0.89 HTR6 (0.45) HTR6KMT2AHPGDSMN1; SMN2L3MBTL3
SCHEMBL3164399 0.89 HTR6 (0.45) HTR6KMT2AHPGDSMN1; SMN2L3MBTL3
SCHEMBL6395460 0.88 HTR6 (0.54) HTR6KMT2AHPGDSMN1; SMN2L3MBTL3
SCHEMBL993907 0.88 HTR6 (0.48) HTR6KMT2AHPGDSMN1; SMN2L3MBTL3
Hydrochloric Acid SCHEMBL31605521 0.88 KMT2A (0.52) HTR6KMT2AHPGDSMN1; SMN2L3MBTL3

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976842-B1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH SPA (IT) 2010-03-10 EP disclosed
US-20100016288-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A (IT) 2010-01-21 US disclosed
CN-100577643-C Substituted 1,4-di-piperidin-4-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA NV 2010-01-06 CN disclosed
CN-100577643-C Substituted 1,4-di-piperidin-4-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA NV 2010-01-06 CN disclosed
EP-1551804-B1 SUBSTITUTED 1,4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-12-24 EP disclosed
EP-1551804-B1 SUBSTITUTED 1,4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-12-24 EP disclosed
EP-1976842-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-10-08 EP disclosed
US-7410970-B2 Substituted 1,4,-di-piperidin-4-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-12 US disclosed
US-7410970-B2 Substituted 1,4,-di-piperidin-4-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-12 US disclosed
US-7410970-B2 Substituted 1,4,-di-piperidin-4-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-12 US disclosed
CN-1703400-A Substituted 1, 4-di-hexahydropyridin-4-yl-hexahydropiperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA NV (BE) 2005-11-30 CN disclosed
EP-1551804-A1 SUBSTITUTED 1,4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS Janssen Pharmaceutica N.V. (BE) 2005-07-13 EP disclosed
EP-1551804-A1 SUBSTITUTED 1,4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS Janssen Pharmaceutica N.V. (BE) 2005-07-13 EP disclosed
WO-2004110415-A3 SUBSTITUTED 1, 4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVE COMBINED WITH AN OPIOID ANALGESIC AND THEIR USE FOR THE TREATMENT OF PAIN AND SIDE-EFFECTS ASSOCIATED WITH OPIOID-BASED TREATMENTS JANSSEN PHARMACEUTICA NV (BE) 2005-02-10 WO disclosed
WO-2004110415-A2 SUBSTITUTED 1, 4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVE COMBINED WITH AN OPIOID ANALGESIC AND THEIR USE FOR THE TREATMENT OF PAIN AND SIDE-EFFECTS ASSOCIATED WITH OPIOID-BASED TREATMENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-23 WO disclosed
WO-2004110415-A2 SUBSTITUTED 1, 4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVE COMBINED WITH AN OPIOID ANALGESIC AND THEIR USE FOR THE TREATMENT OF PAIN AND SIDE-EFFECTS ASSOCIATED WITH OPIOID-BASED TREATMENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-23 WO disclosed
WO-2004056772-A1 SUBSTITUTED 1,4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-08 WO disclosed
WO-2004056772-A1 SUBSTITUTED 1,4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-08 WO disclosed
WO-2004033428-A1 SUBSTITUTED 1,4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-04-22 WO disclosed
WO-2004033428-A1 SUBSTITUTED 1,4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-04-22 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-20100016288-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA6, CHRNA5 HTR6 180/4885KMT2A 2970/4885HPGD 1561/4885

“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.