SCHEMBL2206045

SCHEMBL2206045

CCCN(CCC)CCCCN(C)Cc1ccc(CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CXCR4 P61073 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.44
▸ CARM1 Q86X55 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ PRMT8 Q9NR22 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40

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
Hydrochloric Acid SCHEMBL2202973 0.98 CXCR4 (0.45) HRH3CXCR4MAPTSIGMAR1CARM1
SCHEMBL1206737 0.89 HRH3 (0.53) HRH3CXCR4MAPTSIGMAR1
SCHEMBL4667028 0.86 CARM1 (0.52) HRH3MAPTSIGMAR1CARM1PRMT6
SCHEMBL1638551 0.85 HRH3 (0.52) HRH3MAPT
SCHEMBL2203383 0.83 MAPT (0.57) HRH3MAPT
SCHEMBL12510183 0.83 HRH3 (0.46) HRH3MAPT
SCHEMBL13078729 0.83 HRH3 (0.55) HRH3CXCR4MAPTSIGMAR1CARM1
SCHEMBL1636366 0.83 TSHR (0.45) HRH3CARM1PRMT6PRMT8KDM4E
SCHEMBL14430280 0.82 CARM1 (0.53) SIGMAR1CARM1PRMT6PRMT8KDM4E
SCHEMBL1637428 0.81 SIGMAR1 (0.48) HRH3CXCR4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 — — US disclosed
US-20110046113-A1 AMINE COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-02-24 — — 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-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 — — US 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-20110046113-A1 AMINE COMPOUND AND USE THEREOF NR0B2, NR1D2, NR0B1 HRH3 54/4885CXCR4 76/4885MAPT 3600/4885
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof BCAT2, BCAT1, MRPL9 HRH3 132/4885CXCR4 2546/4885MAPT 4530/4885

“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.

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