Sugi Predict

Sugi Predict / Compounds / SCHEMBL2111769

SCHEMBL2111769

SCHEMBL2111769

O=C(O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.67
▸ DRD2 P14416 2/20 0.61
▸ DRD3 P35462 2/20 0.61
▸ POLB P06746 1/20 0.60
▸ DRD5 P21918 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ THPO P40225 1/20 0.59
▸ MTOR P42345 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL2114093 0.92 SIGMAR1 (0.67) SIGMAR1DRD2DRD3POLBDRD5
SCHEMBL2113032 0.91 SIGMAR1 (0.69) SIGMAR1DRD2DRD3DRD5HTR7
SCHEMBL4938916 0.90 SIGMAR1 (0.67) SIGMAR1DRD2DRD3DRD5HTR1A
SCHEMBL4687501 0.90 SIGMAR1 (0.67) SIGMAR1DRD2DRD3DRD5HTR1A
Hydrochloric Acid SCHEMBL4929355 0.89 SIGMAR1 (0.66) SIGMAR1DRD2DRD3DRD5HTR1A
SCHEMBL11278842 0.88 SIGMAR1 (0.62) SIGMAR1DRD2DRD3POLBDRD5
SCHEMBL11286901 0.88 SIGMAR1 (0.62) SIGMAR1DRD2DRD3POLBDRD5
Hypochlorous Acid SCHEMBL4929365 0.88 SIGMAR1 (0.65) SIGMAR1DRD2DRD3DRD5HTR1A
SCHEMBL10366635 0.86 DRD2 (0.63) SIGMAR1DRD2DRD3POLBDRD5
SCHEMBL3209296 0.85 SIGMAR1 (0.63) SIGMAR1DRD2DRD3DRD5ALDH1A1

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 34 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
WO-2008093920-A2 1,2-DIHYDRO-1-OXOPHTHALAZINYL DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTORS 5-HT2A AND 5-HT2C, AND PREPARATION THEREOF DONGBU HITEK CO., LTD. (KR) 2008-08-07 — — WO 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
WO-2004020512-A1 STABILISED BLOCK COPOLYMERS MADE FROM STYROL MONOMERS AND DIENE MONOMERS BASF AKTIENGESELLSCHAFT (DE) 2004-03-11 — — WO 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 (5 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 SIGMAR1 4740/4885DRD2 4757/4885DRD3 4845/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 SIGMAR1 3384/4885DRD2 3849/4885DRD3 3350/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 SIGMAR1 1126/4885DRD2 1894/4885DRD3 1475/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 SIGMAR1 2960/4885DRD2 1471/4885DRD3 2147/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 SIGMAR1 3384/4885DRD2 3849/4885DRD3 3350/4885

“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.