SCHEMBL2003708

SCHEMBL2003708

CCNC(C)N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL9481171 0.98
SCHEMBL3389599 0.77 CHRM5 (0.35)
SCHEMBL7980568 0.76
SCHEMBL9092495 0.76 ACE2 (0.30)
SCHEMBL6039531 0.73
SCHEMBL25045216 0.72 FDPS (0.32)
SCHEMBL480908 0.72 FDPS (0.32)
SCHEMBL28537860 0.72 TDP1 (0.37)
Methylpiperazine SCHEMBL9443629 0.71 CHRM5 (0.32)
SCHEMBL26082686 0.70 FDPS (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
CN-101056861-B Carbamoyl-substituted spiro derivatives BANYU PHARMA CO LTD 2011-04-06 CN disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
CN-101056861-A Carbamoyl-substituted spiro derivatives BANYU PHARMA CO LTD (JP) 2007-10-17 CN disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
EP-0306831-A1 Use of polyaralkyl amines as corrosion inhibitors BAYER AG (DE) 1989-03-15 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 (3 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-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A ALDH1A1 873/4885MAPT 4823/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 ALDH1A1 1954/4885MAPT 3685/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A ALDH1A1 873/4885MAPT 4823/4885

“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.