SCHEMBL5833508

SCHEMBL5833508

CC(C)CCN(C)C(Cc1ccncc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 9/20 0.52
MAOB P27338 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
EED O75530 1/20 0.43
GPR132 Q9UNW8 2/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
ADAM10 O14672 1/20 0.42
MMP3 P08254 1/20 0.42
ADAM17 P78536 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
SCHEMBL5833964 0.93 GPR132 (0.51) CACNA1BDPP7EEDGPR132MME
SCHEMBL8195243 0.91 CACNA1B (0.59) CACNA1BDPP7EEDMMEACE
SCHEMBL5833180 0.88 CACNA1B (0.50) CACNA1BDPP7EEDMMEACE
SCHEMBL5833229 0.88 MAOB (0.42) CACNA1BMAOBGPR132MMEACE
SCHEMBL5833220 0.88 CTSS (0.47) CACNA1BMAOB
SCHEMBL5832764 0.86 CACNA1B (0.49) CACNA1BDPP7GPR132MMEACE
SCHEMBL5833093 0.84 MAOB (0.48) CACNA1BMAOBGPR132MMEACE
SCHEMBL7399075 0.83 CACNA1B (0.51) CACNA1BMAOBMMEACECPA1
SCHEMBL7405382 0.83 CACNA1B (0.57) CACNA1BDPP7MMEACECPA1
SCHEMBL7398580 0.83 CACNA1B (0.50) CACNA1BMAOBMMEACECPA1

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 CACNA1B 4/4885MAOB 1738/4885DPP7 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.