SCHEMBL7038068

SCHEMBL7038068

CC(C)=CCN(c1ccc(C#CC2(O)CCCCC2)cc1)C1CCN(C(=O)[CH]CC(C)C(N)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 10/20 0.41
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAP3K14 Q99558 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ XBP1 P17861 1/20 0.30

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
SCHEMBL7038071 0.83 CACNA1B (0.61) CACNA1BHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL7045465 0.81 CACNA1B (0.46) CACNA1B
SCHEMBL7041834 0.79 CACNA1B (0.57) CACNA1BMEN1KMT2A
SCHEMBL7354200 0.77 CACNA1B (0.72) CACNA1B
SCHEMBL7040119 0.77 CACNA1B (0.69) CACNA1BSMN1; SMN2LMNA
SCHEMBL7042629 0.73 CACNA1B (0.43) CACNA1B
SCHEMBL7036890 0.71 CACNA1B (0.43) CACNA1BMEN1KMT2A
SCHEMBL7043316 0.70 CACNA1B (0.64) CACNA1BSMN1; SMN2LMNAKMT2A
SCHEMBL7037600 0.69 CACNA1B (0.54) CACNA1BMEN1KMT2A
SCHEMBL7038867 0.67 CACNA1B (0.56) CACNA1BSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060632-A1 Calcium channel blockers HU LAIN-YEN (US) 2003-03-27 — — US claimed
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 — — US claimed
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 — — WO claimed
US-20030060632-A1 Calcium channel blockers HU LAIN-YEN (US) 2003-03-27 — — US disclosed
US-6495715-B2 STROKE, ANTIISCHEMIC AGENTS, TRAUMAS, ANTIEPILEPIC AGENTS WARNER-LAMBERT COMPANY 2002-12-17 — — US disclosed
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 — — US disclosed
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 — — 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 (2 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-20010023249-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885HPGD 1583/4885SMN1; SMN2 1321/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885HPGD 1583/4885SMN1; SMN2 1321/4885

“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.

Send feedback