SCHEMBL2114057

SCHEMBL2114057

Cc1ccccc1N1CCN(CCC(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
OPRM1 P35372 1/20 0.56
OPRL1 P41146 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
HTR1A P08908 2/20 0.55
AR P10275 1/20 0.54
ATM Q13315 1/20 0.54
BCHE P06276 1/20 0.54
HTR7 P34969 2/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL11213938 0.91 MEN1 (0.62) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4685410 0.89 MEN1 (0.60) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4938926 0.89 MEN1 (0.60) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL2113444 0.88 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL3436467 0.87 OPRM1 (0.55) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL15743297 0.86 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL3436276 0.84 ATM (0.56) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL18118440 0.83 HTR1A (0.62) ALDH1A1LMNAADRA1DADRA1BDRD4
SCHEMBL2113305 0.83 HTR1A (0.76) LMNAADRA1DADRA1AADRA1BDRD2
SCHEMBL5014236 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1LMNAHTR1A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388003-B1 Colchicine derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-12-29 EP disclosed
EP-3207929-B1 COLCHICINE DERIVATIVES FOR THE TREATMENT OF CANCER CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-05-26 EP disclosed
EP-3207929-A2 COLCHICINE DERIVATIVES California Pacific Medical Center (US) 2017-08-23 EP disclosed
EP-1617843-B1 COLCHICINE DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2016-12-21 EP disclosed
EP-1643987-B1 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2016-11-30 EP disclosed
US-8158809-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2012-04-17 US disclosed
EP-2388003-A2 Colchicine derivatives California Pacific Medical Center (US) 2011-11-23 EP disclosed
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 US disclosed
US-7605262-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2009-10-20 US disclosed
EP-1643987-A4 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2008-07-09 EP disclosed
EP-1383772-A2 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES California Pacific Medical Center (US) 2004-01-28 EP disclosed
WO-2003101998-A1 NITROGEN-BASED HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 WO disclosed
US-20030073698-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-04-17 US disclosed
US-20030032624-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-02-13 US disclosed
WO-2002070525-A2 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-09-12 WO disclosed
US-6403604-B1 ANTITUMOR CALIFORNIA PACIFIC MEDICAL CENTER 2002-06-11 US disclosed
US-4325952-A Method of treating abstinence syndrome with cycloaklyltriazoles AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO (IT) 1982-04-20 US disclosed
US-4307095-A PSYCHOTHERAPY AND ANTIGLAUCOMA AGENTS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1981-12-22 US disclosed
US-4307096-A Method of treating glaucoma with cycloalkyltriazoles AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1981-12-22 US disclosed
US-4252721-A ANTIGLAUCOMIC AND ANTIPSYCHOTIC AGENTS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1981-02-24 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 (3 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-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 ALDH1A1 1488/4885KMT2A 2819/4885MEN1 1506/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 ALDH1A1 285/4885KMT2A 677/4885MEN1 4599/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 ALDH1A1 1488/4885KMT2A 2819/4885MEN1 1506/4885

“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.