SCHEMBL4997614

SCHEMBL4997614

C=CC(=O)NC(C)CCCN(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.40
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
CACNA2D1 P54289 6/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACB O00763 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
PAOX Q6QHF9 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL11441028 0.90 TSHR (0.47) LMNATSHRALDH1A1FPR3FPR2
SCHEMBL8196999 0.81 TSHR (0.52) TSHRMEN1KMT2AACACBZDHHC20
SCHEMBL27193048 0.80 ZDHHC20 (0.50) TSHRALDH1A1MEN1KMT2AACACB
SCHEMBL1081677 0.80 TSHR (0.50) TSHRALDH1A1ACACBZDHHC20ZDHHC2
SCHEMBL12507020 0.80 LMNA (0.52) LMNAALDH1A1FPR3FPR2CACNA2D1
SCHEMBL14065568 0.80 LMNA (0.52) LMNAALDH1A1FPR3FPR2CACNA2D1
SCHEMBL8765444 0.78 ZDHHC20 (0.53) TSHRALDH1A1MEN1KMT2AZDHHC20
SCHEMBL13224427 0.78 ZDHHC20 (0.53) TSHRALDH1A1MEN1KMT2AZDHHC20
SCHEMBL36597 0.78 ZDHHC20 (0.53) TSHRALDH1A1MEN1KMT2AZDHHC20
SCHEMBL8966072 0.78 ZDHHC20 (0.53) TSHRALDH1A1MEN1KMT2AZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7431944-B2 Delivery of multiple doses of medications CELGENE CORPORATION (US) 2008-10-07 US disclosed
EP-1607093-A1 Improved delivery of multiple doses of medications CELGENE CORPORATION (US) 2005-12-21 EP disclosed
EP-1001772-B1 IMPROVED DELIVERY OF MULTIPLE DOSES OF MEDICATIONS CELGENE CORP (US) 2005-10-12 EP disclosed
EP-1541147-A1 Improved delivery of multiple doses of a methylphenidate drug MEHTA, Atul M. (US) 2005-06-15 EP disclosed
US-20040091532-A1 Delivery of multiple doses of medications MEHTA ATUL M (US) 2004-05-13 US disclosed
US-6635284-B2 Attention deficit disorder, methylphenidate hydrochloride in sustained release form using particles for immediate relase and others coated with an ammino methacrylate polymer; once-daily dosage form CELEGENE CORPORATION 2003-10-21 US disclosed
US-20030113373-A1 DELIVERY OF MULTIPLE DOSES OF MEDICATIONS CELGENE CORPORATION 2003-06-19 US disclosed
EP-1001772-A4 IMPROVED DELIVERY OF MULTIPLE DOSES OF MEDICATIONS MEHTA ATUL M (US) 2002-10-30 EP disclosed
EP-1001772-A1 IMPROVED DELIVERY OF MULTIPLE DOSES OF MEDICATIONS MEHTA, Atul M. (US) 2000-05-24 EP disclosed
WO-1999003471-A1 IMPROVED DELIVERY OF MULTIPLE DOSES OF MEDICATIONS MEHTA, ATUL, M. (US) 1999-01-28 WO disclosed
US-5837284-A Oral dosage form of dl-threo methylphenidate hydrochloride; daily dosage; includes ammonio methacrylate polymer CELGENE CORPORATION 1998-11-17 US disclosed
US-5422121-A Oral dosage unit form ROHM GMBH (DE) 1995-06-06 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-20040091532-A1 Delivery of multiple doses of medications SLC6A3, SLC6A2, SLC6A4 LMNA 3680/4885TSHR 1761/4885ALDH1A1 1125/4885
US-20030113373-A1 DELIVERY OF MULTIPLE DOSES OF MEDICATIONS SLC6A3, SLC6A2, SLC6A4 LMNA 3680/4885TSHR 1761/4885ALDH1A1 1125/4885

“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.