SCHEMBL7167984

SCHEMBL7167984

CC(=O)CCCc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
CYP2C19 P33261 1/20 0.66
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
HRH1 P35367 2/20 0.51
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ALOX15 P16050 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HPGD P15428 1/20 0.45
PTPRA P18433 1/20 0.45

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
SCHEMBL6245103 0.93 CYP1A2 (0.58) CYP1A2SMN1; SMN2CYP2C19ALDH1A1TSHR
SCHEMBL2722250 0.89 ALDH1A1 (0.57) CYP1A2SMN1; SMN2CYP2C19ALDH1A1TSHR
SCHEMBL3673389 0.84 SMN1; SMN2 (0.73) CYP1A2SMN1; SMN2CYP2C19ALDH1A1HRH1
SCHEMBL9774 0.84 SMN1; SMN2 (0.68) CYP1A2SMN1; SMN2CYP2C19HRH1LMNA
SCHEMBL6196923 0.84 SMN1; SMN2 (0.68) CYP1A2SMN1; SMN2CYP2C19HRH1LMNA
SCHEMBL6687222 0.84 SMN1; SMN2 (0.73) CYP1A2SMN1; SMN2CYP2C19ALDH1A1HRH1
SCHEMBL19177065 0.83 CYP1A2 (0.62) CYP1A2SMN1; SMN2CYP2C19ALDH1A1TSHR
Hydrochloric Acid SCHEMBL3513717 0.82 SMN1; SMN2 (0.66) CYP1A2SMN1; SMN2CYP2C19ALDH1A1HRH1
SCHEMBL7440930 0.82 SMN1; SMN2 (0.66) CYP1A2SMN1; SMN2CYP2C19HRH1LMNA
Hydrochloric Acid SCHEMBL7206845 0.82 SMN1; SMN2 (0.71) CYP1A2SMN1; SMN2CYP2C19ALDH1A1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405453-A2 A METHOD FOR PREPARING POLY(CARBONATE-ETH ERIMIDE) COMPOUND PTT Global Chemical Public Company Limited (TH) 2018-11-28 EP claimed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
EP-3405453-A2 A METHOD FOR PREPARING POLY(CARBONATE-ETH ERIMIDE) COMPOUND PTT Global Chemical Public Company Limited (TH) 2018-11-28 EP disclosed
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO disclosed
US-6534489-B1 Organophosphorus compounds and the use thereof JOMAA PHARMAKA GMBH (DE) 2003-03-18 US disclosed
EP-1133500-B1 ORGANOPHOSPHOROUS COMPOUNDS AND THE USE THEREOF JOMAA PHARMAKA GMBH (DE) 2002-09-11 EP disclosed
EP-1133500-A1 ORGANOPHOSPHOROUS COMPOUNDS AND THE USE THEREOF Jomaa Pharmaka GmbH (DE) 2001-09-19 EP disclosed
WO-2000031085-A1 ORGANOPHOSPHOROUS COMPOUNDS AND THE USE THEREOF JOMAA PHARMAKA GMBH (DE) 2000-06-02 WO 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 (1 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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 CYP1A2 278/4885SMN1; SMN2 3865/4885CYP2C19 2033/4885

“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.