SCHEMBL1638259

SCHEMBL1638259

CCCN(CCC)CCCCN(CCC(=O)OC)Cc1ccc(CN)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
MAPT P10636 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACKR3 P25106 1/20 0.39
RORC P51449 1/20 0.39
MEP1B Q16820 1/20 0.39

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
SCHEMBL15161920 0.89 DRD2 (0.44) HRH3MAPT
SCHEMBL1638613 0.88 LOXL2 (0.41) HRH3MAPTLOXL2KDM4EALDH1A1
SCHEMBL2203077 0.83 HRH3 (0.46) HRH3MAPTACKR3RORC
SCHEMBL15781670 0.80 LOXL2 (0.51) LOXL2KDM4EALDH1A1SMN1; SMN2MEP1B
SCHEMBL1638251 0.80 DRD2 (0.40) HRH3MAPTRORC
SCHEMBL2200592 0.80 TSHR (0.45) HRH3MAPT
SCHEMBL13378256 0.80 PDE6D (0.45) HRH3MAPTLOXL2KDM4EALDH1A1
SCHEMBL1637991 0.79 CXCR4 (0.54) HRH3
SCHEMBL2203383 0.79 MAPT (0.57) HRH3MAPT
Hydrochloric Acid SCHEMBL2202815 0.79 TSHR (0.44) HRH3MAPT

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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 US disclosed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 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 (3 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 HRH3 77/4885MAPT 3333/4885LOXL2 4133/4885
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof BCAT2, BCAT1, MRPL9 HRH3 132/4885MAPT 4530/4885LOXL2 2190/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 HRH3 64/4885MAPT 3184/4885LOXL2 3824/4885

“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.