Sugi Predict

Sugi Predict / Compounds / SCHEMBL2114078

SCHEMBL2114078

SCHEMBL2114078

O=C(O)CCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.72
▸ LMNA P02545 1/20 0.68
▸ GAA P10253 1/20 0.68
▸ RXFP1 Q9HBX9 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ DRD2 P14416 4/20 0.58
▸ DRD4 P21917 4/20 0.58
▸ HTR2A P28223 2/20 0.58
▸ HTR2C P28335 2/20 0.58
▸ HRH1 P35367 2/20 0.58
▸ DRD3 P35462 2/20 0.58
▸ HTR7 P34969 1/20 0.55
▸ REV1 Q9UBZ9 1/20 0.55
▸ CACNA1G O43497 1/20 0.54
▸ CHRM1 P11229 1/20 0.53
▸ DRD1 P21728 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ HTR2B P41595 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
SCHEMBL9834124 0.91 DRD2 (0.66) HTR1ALMNAGAARXFP1ALDH1A1
SCHEMBL2114983 0.85 HTR1A (0.73) HTR1ALMNAALDH1A1DRD2HTR2A
SCHEMBL5009446 0.84 HTR1A (0.72) HTR1ALMNAHPGDDRD2DRD4
SCHEMBL15650606 0.84 GFER (0.56) HTR1ALMNAGAARXFP1ALDH1A1
SCHEMBL5010657 0.84 MAPT (0.61) HTR1ADRD2DRD4DRD3HTR7
SCHEMBL5114345 0.83 REV1 (0.65) HTR1ALMNAGAARXFP1ALDH1A1
Hydrochloric Acid SCHEMBL9811592 0.83 HTR1A (0.71) HTR1ALMNAALDH1A1DRD2HTR2A
SCHEMBL12041888 0.83 DRD2 (0.57) HTR1ADRD2DRD4HTR2AHTR2C
Hydrochloric Acid SCHEMBL1373922 0.82 REV1 (0.63) HTR1ALMNAGAARXFP1ALDH1A1
SCHEMBL457489 0.82 DRD2 (0.56) HTR1ADRD2DRD4HTR2AHTR2C

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 30 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-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 (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 HTR1A 1728/4885LMNA 1310/4885GAA 4335/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 HTR1A 2437/4885LMNA 1222/4885GAA 3709/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 HTR1A 821/4885LMNA 214/4885GAA 3009/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 HTR1A 2109/4885LMNA 1033/4885GAA 2915/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 HTR1A 2437/4885LMNA 1222/4885GAA 3709/4885

“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.