SCHEMBL5930263

SCHEMBL5930263

CN=C(N)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CHKA P35790 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
HPGD P15428 1/20 0.33
PHGDH O43175 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
HSD11B1 P28845 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL14134976 1.00 CA2 (0.38) CA2CA12CA1CA9CHKA
SCHEMBL18867652 0.77
SCHEMBL14134882 0.76 CA2 (0.38) CA2CA12CA1CA9CHKA
SCHEMBL26631944 0.76 CA2 (0.34) CA2CA12CA1CA9CHKA
SCHEMBL14952087 0.75 F2 (0.46) CA2CA12CA1CA9PHGDH
Hydrochloric Acid SCHEMBL538526 0.73 CA2 (0.41) CA2CA12CA1CA9CHKA
SCHEMBL26631949 0.73 NOS1 (0.39) CA2CA12CA1CA9CHKA
SCHEMBL12656550 0.71 LMNA (0.59) CA2CA12CA1CA9PHGDH
SCHEMBL14134809 0.71 CA2 (0.39) CA2CA12CA1CA9CHKA
SCHEMBL12151945 0.71 KDM4E (0.35) CA2CA12CA1CA9CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212445-A1 POLYAMIDINE-CONTAINING MEMBRANES FOR CO2 SEPARATIONS FROM GASEOUS STREAMS OHIO STATE INNOVATION FOUNDATION (US) 2023-11-02 WO claimed
US-20060122164-A1 Carboxylic acid esters of pharmaceutical compounds ASCHER GERD 2006-06-08 US disclosed
CN-1745086-A Carboxylic acid esters of pharmaceutical compounds SANDOZ AG (CH) 2006-03-08 CN disclosed
EP-1590354-A2 CARBOXYLIC ACID ESTERS OF PHARMACEUTICAL COMPOUNDS Sandoz AG (CH) 2005-11-02 EP disclosed
EP-0965327-B1 WRINKLING MODIFIERS KAO CORP (JP) 2005-03-16 EP disclosed
WO-2004067536-A2 CARBOXYLIC ACID ESTERS TO IMPROVE BIOAVAILABILITY OF PHARMACEUTICAL COMPOUNDS SANDOZ AG (CH) 2004-08-12 WO disclosed
US-6436920-B1 AN ANTIWRINKLE AND ANTIAGING AGENT (COSMETIC SKIN CARE AGENT) COMPRISING A GUANIDINE DERIVATIVE KAO CORPORATION (JP) 2002-08-20 US disclosed
US-20020022611-A1 Wrinkling modifiers KAO CORPORATION (JP) 2002-02-21 US disclosed
US-6306848-B1 SKIN TREATMENT KAO CORPORATION (JP) 2001-10-23 US disclosed
EP-0965327-A1 WRINKLING MODIFIERS Kao Corporation (JP) 1999-12-22 EP disclosed
EP-0719244-A1 PROCESS OF PREPARING 2,3,5-TRIHALOBENZALDEHYDE THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-03 EP disclosed
WO-1995007877-A1 PROCESS OF PREPARING 2,3,5-TRIHALOBENZALDEHYDE THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-23 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 (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-20060122164-A1 Carboxylic acid esters of pharmaceutical compounds MCCC2, HCAR2, CA7 CA2 19/4885CA12 61/4885CA1 126/4885
US-20020022611-A1 Wrinkling modifiers AZI2, ARG1, CUTA CA2 2783/4885CA12 4878/4885CA1 4881/4885

“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.