SCHEMBL10299195

SCHEMBL10299195

O=C(Nc1ccc(C2C(c3ccc(NC(=O)[C@@H]4CCCN4)cc3)C2c2ccc(C3CCCCC3)cc2)cc1)[C@@H]1CCCN1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.62
▸ HTR2B P41595 1/20 0.62
▸ SCN3A Q9NY46 3/20 0.52
▸ SCN9A Q15858 2/20 0.52
▸ ULK1 O75385 1/20 0.50
▸ PSMB8 P28062 2/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ DEGS1 O15121 1/20 0.48
▸ USP2 O75604 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MITF O75030 1/20 0.45
▸ KLF5 Q13887 1/20 0.45
▸ SCN5A Q14524 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44

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
SCHEMBL31148173 0.91 HTR2C (0.59) HTR2CHTR2BSCN3ASCN9AULK1
SCHEMBL31148175 0.91 HTR2C (0.59) HTR2CHTR2BSCN3ASCN9AULK1
SCHEMBL31148199 0.91 HTR2C (0.59) HTR2CHTR2BSCN3ASCN9AULK1
SCHEMBL30714994 0.90 HTR2C (0.58) HTR2CHTR2BSCN3ASCN9AULK1
Hydrochloric Acid SCHEMBL31148076 0.89 HTR2C (0.57) HTR2CHTR2BSCN3ASCN9AULK1
Hydrochloric Acid SCHEMBL31148178 0.89 HTR2C (0.56) HTR2CHTR2BSCN3ASCN9AULK1
Hydrochloric Acid SCHEMBL31148098 0.88 HTR2C (0.55) HTR2CHTR2BSCN3ASCN9AULK1
SCHEMBL10281534 0.86 SCN3A (0.54) HTR2CHTR2BSCN3ASCN9AULK1
SCHEMBL10299187 0.82 SCN3A (0.50) SCN3ASCN9APSMB8HDAC8SCN5A
Trifluoroacetic Acid SCHEMBL31148191 0.81 HTR2C (0.49) HTR2CHTR2BSCN3ASCN9AULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 — — US disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 — — 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 (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-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTR2C 4364/4885HTR2B 4676/4885SCN3A 4568/4885

“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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