SCHEMBL5833014

SCHEMBL5833014

CC(C)CCN(C)C(Cc1cccnc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.46
TACR2 P21452 7/20 0.44
GPR132 Q9UNW8 1/20 0.44
CTSS P25774 2/20 0.43
CACNA1B Q00975 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ACACB O00763 1/20 0.41
CHRM4 P08173 1/20 0.41
KLKB1 P03952 2/20 0.40
CTSL P07711 1/20 0.40
CTSK P43235 1/20 0.40
EGFR P00533 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 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
SCHEMBL5833220 0.94 CTSS (0.47) PLGTACR2CTSSCACNA1BITGB3
SCHEMBL7401303 0.89 CTSS (0.50) TACR2CTSSCACNA1BITGB3ITGA2B
SCHEMBL7446475 0.89 CTSS (0.51) TACR2CTSSCACNA1BITGB3ITGA2B
SCHEMBL5833276 0.88 TACR2 (0.44) TACR2CTSSCACNA1BITGB3ITGA2B
SCHEMBL5833964 0.88 GPR132 (0.51) PLGGPR132CACNA1BACACBMMP9
SCHEMBL5833266 0.88 TACR2 (0.47) PLGTACR2GPR132CTSSITGB3
SCHEMBL5833023 0.85 GPR132 (0.44) PLGGPR132CACNA1BACACBMMP9
SCHEMBL5833133 0.83 GPR132 (0.49) PLGGPR132ACACBCTSLMMP9
SCHEMBL7398380 0.82 CTSS (0.53) TACR2CTSSCACNA1BITGB3ITGA2B
SCHEMBL7405180 0.82 TACR2 (0.57) TACR2MMP9MMP8

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 PLG 1256/4885TACR2 769/4885GPR132 192/4885

“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.