SCHEMBL5121433

SCHEMBL5121433

Cc1ccc(C2=NOC3(CCN(C(=S)NCC4CCCCC4)CC3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CNR1 P21554 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 2/20 0.37
SSTR3 P32745 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP13 P45452 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
SCHEMBL5127230 0.90 KMT2A (0.43) ALDH1A1CNR1RAB9AKMT2AMEN1
SCHEMBL5117704 0.90 POLB (0.42) ALDH1A1RAB9AKMT2AMEN1
SCHEMBL5124118 0.90 KMT2A (0.38) CNR1RAB9ANPC1KMT2AMEN1
SCHEMBL5130345 0.88 SMN1; SMN2 (0.37) RAB9AKMT2AMEN1
SCHEMBL5011250 0.87 KMT2A (0.38) CNR1RAB9ANPC1KMT2ASSTR3
SCHEMBL5126072 0.85 KDM4E (0.43) ALDH1A1CNR1RAB9ANPC1KMT2A
SCHEMBL5124012 0.84 KDM4E (0.41) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL5015734 0.77 KMT2A (0.44) ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL5124905 0.77 LMNA (0.53) CNR1RAB9ANPC1KMT2AMEN1
SCHEMBL5012239 0.77 KMT2A (0.37) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 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-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI ALDH1A1 511/4885CNR1 869/4885RAB9A 2540/4885

“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.