Sugi Predict

Sugi Predict / Compounds / SCHEMBL2114040

SCHEMBL2114040

SCHEMBL2114040

O=C(O)CCN1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.65
▸ PRCP P42785 8/20 0.60
▸ S1PR1 P21453 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.57
▸ DRD3 P35462 3/20 0.55
▸ DRD4 P21917 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ MCHR1 Q99705 4/20 0.53
▸ HTR1A P08908 2/20 0.50
▸ HTR2A P28223 2/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ DRD5 P21918 1/20 0.50

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
Hydrochloric Acid SCHEMBL9811517 0.98 DRD2 (0.63) DRD2PRCPS1PR1SIGMAR1DRD3
SCHEMBL27616065 0.91 DRD2 (0.67) DRD2PRCPDRD3DRD4MCHR1
Hydrochloric Acid SCHEMBL9811475 0.91 ALDH1A1 (0.59) DRD2PRCPS1PR1SIGMAR1MEN1
SCHEMBL18937182 0.86 SIGMAR1 (0.58) DRD2PRCPS1PR1SIGMAR1KMT2A
SCHEMBL7722733 0.86 SIGMAR1 (0.75) DRD2PRCPS1PR1SIGMAR1MEN1
Hydrochloric Acid SCHEMBL9814429 0.84 SIGMAR1 (0.73) DRD2PRCPS1PR1SIGMAR1MEN1
Hydrochloric Acid SCHEMBL9811451 0.84 S1PR1 (0.56) DRD2PRCPS1PR1SIGMAR1DRD3
Hydrochloric Acid SCHEMBL9811466 0.84 DRD2 (0.61) DRD2PRCPS1PR1SIGMAR1DRD3
SCHEMBL5775143 0.82 DRD2 (0.67) DRD2PRCPDRD3DRD4MCHR1
SCHEMBL12041500 0.81 S1PR1 (0.54) DRD2PRCPS1PR1SIGMAR1DRD4

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 29 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
US-20080113941-A1 Podophyllotoxin Derivatives CALIFORNIA PACIFIC MEDICAL CENTER 2008-05-15 — — US disclosed
US-6825207-B2 ANTICANCER AGENTS CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 — — US disclosed
US-20040204370-A1 COLCHICINE DERIVATIVES SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-10-14 — — US disclosed
CN-1511159-A Nitrogen-based camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-07-07 — — CN disclosed
US-20040063740-A1 For treatment of cancer SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-04-01 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20040063740-A1 For treatment of cancer MGMT, PAICS, DCK DRD2 4757/4885PRCP 3637/4885S1PR1 1262/4885
US-20080113941-A1 Podophyllotoxin Derivatives APEH, DAGLA, DPY30 DRD2 1471/4885PRCP 3041/4885S1PR1 2530/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 DRD2 3849/4885PRCP 3981/4885S1PR1 3731/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 DRD2 1894/4885PRCP 2755/4885S1PR1 1388/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 DRD2 1471/4885PRCP 3041/4885S1PR1 2530/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 DRD2 3849/4885PRCP 3981/4885S1PR1 3731/4885

“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.