SCHEMBL5833862

SCHEMBL5833862

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 4/20 0.51
CACNA1B Q00975 9/20 0.48
DPP7 Q9UHL4 1/20 0.47
YAP1 P46937 1/20 0.45
PLG P00747 1/20 0.45
ACACB O00763 1/20 0.44
CMKLR2 P46091 1/20 0.44
CMKLR1 Q99788 1/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL5832764 0.93 CACNA1B (0.49) GPR132CACNA1BDPP7YAP1MME
SCHEMBL5833266 0.88 TACR2 (0.47) GPR132YAP1PLGACACBMMP9
SCHEMBL5833273 0.87 GPR132 (0.44) GPR132CACNA1BYAP1PLGACACB
SCHEMBL5833964 0.86 GPR132 (0.51) GPR132CACNA1BDPP7YAP1PLG
SCHEMBL5833515 0.85 CACNA1B (0.46) CACNA1BDPP7YAP1MMEACE
SCHEMBL5833543 0.84 GPR132 (0.50) GPR132YAP1PLGACACBCMKLR2
SCHEMBL5833547 0.84 GPR132 (0.50) GPR132YAP1PLGACACBCMKLR2
SCHEMBL5833622 0.81 CTSS (0.49) YAP1PLGMMEACECPA1
SCHEMBL5833528 0.80 ACACB (0.50) GPR132PLGACACBCMKLR2CMKLR1
SCHEMBL7339830 0.80 CACNA1B (0.68) CACNA1BDPP7YAP1MMEACE

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
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 4/4885DPP7 1435/4885

“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.