Cyclohexylamine

Cyclohexylamine

SCHEMBL6137474

Cc1cc(CC/C=C(\CC(=O)OC(C)(C)C)C(=O)O)ccc1-c1ccccc1.NC1CCCCC1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
MMP2 P08253 10/20 0.36
MMP3 P08254 6/20 0.36
CDK2 P24941 1/20 0.35
MMP9 P14780 5/20 0.35
MMP14 P50281 5/20 0.35
MMP1 P03956 3/20 0.35
MMP13 P45452 3/20 0.34
BMP1 P13497 1/20 0.34
OXTR P30559 2/20 0.34
AVPR1A P37288 2/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1B P47901 1/20 0.33

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
Cyclohexylamine SCHEMBL6137479 1.00 PPARG (0.37) PPARGPPARAMMP2MMP3CDK2
SCHEMBL6137306 0.90 MMP2 (0.42) PPARGPPARAMMP2MMP3CDK2
SCHEMBL6137308 0.90 MMP2 (0.42) PPARGPPARAMMP2MMP3CDK2
SCHEMBL6833386 0.89 MMP2 (0.41) PPARGPPARAMMP2MMP3CDK2
SCHEMBL6833383 0.89 MMP2 (0.41) PPARGPPARAMMP2MMP3CDK2
SCHEMBL6137476 0.85 CDK2 (0.36) MMP2MMP3CDK2MMP9MMP14
Amantadine SCHEMBL6931289 0.85 MMP2 (0.35) MMP2MMP3CDK2MMP9MMP14
Amantadine SCHEMBL6931282 0.85 MMP2 (0.35) MMP2MMP3CDK2MMP9MMP14
SCHEMBL6833385 0.82 MMP2 (0.38) PPARGPPARAMMP2MMP3CDK2
Cyclohexylamine SCHEMBL6137317 0.78 MMP2 (0.46) PPARGPPARAMMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1199301-B1 Olefination process to itaconate and succinate derivatives PFIZER LTD (GB) 2005-06-08 EP disclosed
US-6750363-B2 Olefination process to itaconate and succinate derivatives PFIZER, INC. 2004-06-15 US disclosed
US-20020188121-A1 Novel olefination process to itaconate and succinate derivatives DERRICK ANDREW MICHAEL (GB) 2002-12-12 US disclosed
US-6452041-B1 REACTING ALDEHYDE OF FORMULA RCHO, OR A PROTECTED DERIVATIVE THEREOF SUCH AS A HEMIACETAL OR ADDUCT THEREOF SUCH AS A BISULPHITE, WITH A PHOSPHORUS COMPOUND TO OBTAIN SUCCINATE OR ITACONATE DERIVATIVE PFIZER INC. 2002-09-17 US disclosed
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives PFIZER INC. 2002-05-16 US disclosed
EP-1199301-A1 Olefination process to itaconate and succinate derivatives Pfizer Limited (GB) 2002-04-24 EP 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 (2 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-20020188121-A1 Novel olefination process to itaconate and succinate derivatives HOGA1, OGDH, HADHA PPARG 1366/4885PPARA 1706/4885MMP2 3089/4885
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives HOGA1, HADHA, OGDH PPARG 960/4885PPARA 1352/4885MMP2 2827/4885

“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.