SCHEMBL6441668

SCHEMBL6441668

Fc1ccc(N2CCCCC2)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
HTT P42858 2/20 0.65
GAA P10253 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 6/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MITF O75030 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ADRA1B P35368 2/20 0.47
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
CDK4 P11802 1/20 0.46

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
SCHEMBL29891888 1.00 ALDH1A1 (0.65) ALDH1A1HTTGAASMN1; SMN2MAPT
SCHEMBL5715714 0.98 ALDH1A1 (0.61) ALDH1A1HTTGAASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL29749177 0.96 ALDH1A1 (0.65) ALDH1A1HTTGAASMN1; SMN2MAPT
SCHEMBL29893113 0.83 ALDH1A1 (0.59) ALDH1A1HTTGAASMN1; SMN2MAPT
SCHEMBL5715880 0.83 ALDH1A1 (0.59) ALDH1A1HTTGAASMN1; SMN2MAPT
SCHEMBL2847536 0.82 HTR1A (0.52) ALDH1A1HTTGAASMN1; SMN2MAPT
SCHEMBL14922278 0.82 ALDH1A1 (0.61) ALDH1A1HTTGAASMN1; SMN2MAPT
SCHEMBL28224399 0.82 ALDH1A1 (0.62) ALDH1A1HTTGAASMN1; SMN2MAPT
SCHEMBL22653985 0.82 ALDH1A1 (0.44) ALDH1A1HTTGAASMN1; SMN2MAPT
SCHEMBL5716060 0.81 ALDH1A1 (0.56) ALDH1A1HTTGAASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
EP-1252166-B1 OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 CATIONIC COMPOUNDS AND PROCESSES USING THEM EXXONMOBIL CHEM PATENTS INC (US) 2005-11-09 EP disclosed
US-6822057-B2 OLEFIN POLYMERIZATION CATALYST SYSTEM IS A REACTION PRODUCT OF A METALLOCENES AND A COCATALYST CONTAINING FLUOROARYL SUBSTITUTED SECONDARY AMINE OR PHSOPHINE COMPOUND AND AN ANION CONTAINING GROUP 13 ELEMENT WHICH IS NONCOORDINATIG EXXON MOBIL CHEMICAL PATENTS INC. 2004-11-23 US disclosed
US-6489480-B2 COORDINATION POLYMERIZATION CATALYST FOR ALPHA-OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2002-12-03 US disclosed
US-20020115806-A1 Olefin polymerization catalysts derived from Group-15 cationic compounds and processes using them EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-22 US disclosed
US-20020111265-A1 GROUP-15 CATIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-15 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 (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-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C ALDH1A1 1997/4885HTT 802/4885GAA 2977/4885

“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.