SCHEMBL5832740

SCHEMBL5832740

CC(C)CCNC(Cc1cscn1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.46
TACR2 P21452 5/20 0.45
REN P00797 8/20 0.45
CTSS P25774 1/20 0.44
KLKB1 P03952 2/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
YAP1 P46937 1/20 0.42

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
SCHEMBL5833515 0.88 CACNA1B (0.46) PSMB5RENYAP1
SCHEMBL5833622 0.88 CTSS (0.49) TACR2CTSSITGB3ITGA2BYAP1
SCHEMBL5833276 0.88 TACR2 (0.44) PSMB5TACR2RENCTSSKLKB1
SCHEMBL5833266 0.86 TACR2 (0.47) TACR2CTSSKLKB1ITGB3ITGA2B
SCHEMBL5832747 0.85 PSMB5 (0.42) PSMB5RENKLKB1YAP1
SCHEMBL5832898 0.84 MME (0.46) PSMB5RENKLKB1YAP1
SCHEMBL5832902 0.84 MME (0.46) PSMB5RENKLKB1YAP1
SCHEMBL7337619 0.80 CACNA1B (0.57) PSMB5TACR2CTSS
SCHEMBL7340969 0.80 CACNA1B (0.57) PSMB5TACR2CTSS
SCHEMBL7398380 0.79 CTSS (0.53) PSMB5TACR2CTSSITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060419-A1 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US claimed
US-6989448-B2 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers HU LAIN-YEN 2006-01-24 US disclosed
US-20030060419-A1 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US disclosed
US-6469038-B1 CALCIUM CHANNEL BLOCKERS THAT CAN BLOCK N-TYPE CALCIUM CHANNELS AND CAN BE USED TO TREAT STROKE, PAIN, CEREBRAL ISCHEMIA, HEAD TRAUMA, ASTHMA, AMYOTROPIC LATERAL SCLEROSIS, AND EPILEPSY WARNER-LAMBERT COMPANY 2002-10-22 US disclosed
US-6166052-A Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers WARNER-LAMBERT COMPANY (US) 2000-12-26 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-20030060419-A1 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers CACNA1C, CACNA1I, CACNA1S PSMB5 430/4885TACR2 769/4885REN 3074/4885

“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.