SCHEMBL6663560

SCHEMBL6663560

N#CC1(N2CCNCC2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SOS1 Q07889 1/20 0.31
SOS2 Q07890 1/20 0.31

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
SCHEMBL22441559 0.89 POLB (0.35) ALDH1A1SMN1; SMN2POLB
SCHEMBL1742367 0.82 ALDH1A1 (0.39) ALDH1A1POLB
SCHEMBL26039054 0.82 ALDH1A1 (0.39) ALDH1A1POLB
SCHEMBL27003067 0.82 ALDH1A1 (0.39) ALDH1A1POLB
SCHEMBL8510561 0.82 ALDH1A1 (0.39) ALDH1A1POLB
SCHEMBL9853482 0.80 ALDH1A1 (0.37) ALDH1A1
Hydrochloric Acid SCHEMBL29587839 0.80 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9853462 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3237003 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3240121 0.80 ALDH1A1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US disclosed
CN-103096893-B Glycine transporter-1 inhibitor, Its Preparation Method And Use ALBANY MOLECULAR RESEARCH, INC. (US) 2016-05-04 CN disclosed
US-9045445-B2 Glycine transporter-1 inhibitors, methods of making them, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-9045445-B2 Glycine transporter-1 inhibitors, methods of making them, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-9045445-B2 Glycine transporter-1 inhibitors, methods of making them, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
CN-103096893-A Glycine transporter-1 inhibitors, methods of making them, and uses thereof ALBANY MOLECULAR RES INC 2013-05-08 CN disclosed
EP-2575815-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF Albany Molecular Research, Inc. (US) 2013-04-10 EP disclosed
US-20110312931-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-22 US disclosed
US-20110312931-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-22 US disclosed
US-20110312931-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-22 US disclosed
WO-2011153359-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-08 WO disclosed
WO-2011153359-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-08 WO disclosed
EP-1465867-A1 LIGANDS OF MELANOCORTIN RECEPTORS AND COMPOSITIONS AND METHODS RELATED THERETO Neurocrine Biosciences, Inc. (US) 2004-10-13 EP disclosed
US-20030158209-A1 Ligands of melanocortin receptors and compositions and methods related thereto NEUROCRINE BIOSCIENCES INC. 2003-08-21 US disclosed
WO-2003031410-A1 LIGANDS OF MELANOCORTIN RECEPTORS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2003-04-17 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 (4 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-10428051-B2 Substituted amide derivatives having multimodal activity against pain OPRM1, OPRD1, OPRK1 ALDH1A1 1946/4885SMN1; SMN2 1389/4885POLB 1199/4885
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 ALDH1A1 1946/4885SMN1; SMN2 1389/4885POLB 1199/4885
US-20110312931-A1 GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF SLC6A5, SLC7A1, AGXT ALDH1A1 1212/4885SMN1; SMN2 3096/4885POLB 4307/4885
US-20030158209-A1 Ligands of melanocortin receptors and compositions and methods related thereto MC3R, MC1R, MC4R ALDH1A1 1900/4885SMN1; SMN2 3509/4885POLB 4475/4885

“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.