Sugi Predict

Sugi Predict / Compounds / SCHEMBL6705994

SCHEMBL6705994

SCHEMBL6705994

CC(C)C(C)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ HTR1A P08908 2/20 0.69
▸ ADORA3 P0DMS8 2/20 0.69
▸ SLC6A2 P23975 2/20 0.69
▸ SLC6A4 P31645 2/20 0.69
▸ ADRA1A P35348 2/20 0.69
▸ OPRM1 P35372 2/20 0.69
▸ DRD3 P35462 2/20 0.69
▸ SLC6A3 Q01959 2/20 0.69
▸ CYP1A2 P05177 2/20 0.69
▸ CYP2D6 P10635 2/20 0.69
▸ CYP2C19 P33261 2/20 0.69
▸ LMNA P02545 2/20 0.69
▸ CASR P41180 2/20 0.69
▸ CHRM2 P08172 1/20 0.69
▸ ADRA2A P08913 1/20 0.69
▸ CHRM1 P11229 1/20 0.69
▸ SMPD1 P17405 1/20 0.69
▸ DRD1 P21728 1/20 0.69

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
SCHEMBL3637320 0.83 KCNH2 (0.74) KCNH2CYP3A4HTR1AADORA3SLC6A2
SCHEMBL14415649 0.82 KCNH2 (0.67) KCNH2CYP3A4HTR1AADORA3SLC6A2
Fendiline SCHEMBL14415809 0.82 OPRM1 (1.00) KCNH2CYP3A4HTR1AADORA3SLC6A2
Fendiline SCHEMBL5053865 0.82 OPRM1 (1.00) KCNH2CYP3A4HTR1AADORA3SLC6A2
Fendiline SCHEMBL14415808 0.82 OPRM1 (1.00) KCNH2CYP3A4HTR1AADORA3SLC6A2
Fendiline SCHEMBL63814 0.82 OPRM1 (1.00) KCNH2CYP3A4HTR1AADORA3SLC6A2
Fendiline SCHEMBL15571059 0.80 KMT2A (1.00) KCNH2CYP3A4HTR1AADORA3SLC6A2
Fendiline SCHEMBL15572599 0.80 KMT2A (1.00) KCNH2CYP3A4HTR1AADORA3SLC6A2
Fendiline SCHEMBL666530 0.80 KMT2A (1.00) KCNH2CYP3A4HTR1AADORA3SLC6A2
SCHEMBL6272466 0.76 CYP3A4 (0.58) KCNH2CYP3A4HTR1AADORA3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743853-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMA INC (US) 2001-05-02 — — EP claimed
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 2013-07-25 — — US disclosed
JP-2004002437-A COMPOUND ACTIVE AT NEW POSITION ON RECEPTOR-OPERATED CALCIUM CHANNEL USEFUL FOR TREATING NEUROPRAXIA AND NEUROPATHY NPS PHARMACEUT INC 2004-01-08 — — JP disclosed
EP-0743853-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMA INC (US) 2001-05-02 — — 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 (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-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES CASR, CALCR, ORAI1 KCNH2 1123/4885CYP3A4 4804/4885HTR1A 3316/4885

“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.