SCHEMBL5833964

SCHEMBL5833964

CC(C)CCN(C)C(Cc1cccnc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 4/20 0.51
CACNA1B Q00975 8/20 0.51
ACACB O00763 1/20 0.44
PLG P00747 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
EED O75530 1/20 0.42
CMKLR2 P46091 1/20 0.41
CMKLR1 Q99788 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
YAP1 P46937 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
SCHEMBL5833508 0.93 CACNA1B (0.52) GPR132CACNA1BDPP7EEDMME
SCHEMBL8195243 0.89 CACNA1B (0.59) CACNA1BDPP7EEDMMEACE
SCHEMBL5833014 0.88 PLG (0.46) GPR132CACNA1BACACBPLGMMP9
SCHEMBL5833023 0.88 GPR132 (0.44) GPR132CACNA1BACACBPLGCMKLR2
SCHEMBL5833180 0.88 CACNA1B (0.50) CACNA1BDPP7EEDMMEACE
SCHEMBL5833862 0.86 GPR132 (0.51) GPR132CACNA1BACACBPLGDPP7
SCHEMBL5833133 0.85 GPR132 (0.49) GPR132ACACBPLGCMKLR2CMKLR1
SCHEMBL7399075 0.82 CACNA1B (0.51) CACNA1BMMEACECPA1ACE2
SCHEMBL5833182 0.82 ACACB (0.49) GPR132ACACBPLGCMKLR2CMKLR1
SCHEMBL5833220 0.81 CTSS (0.47) CACNA1BPLG

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 GPR132 192/4885CACNA1B 4/4885ACACB 1323/4885

“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.