SCHEMBL800830

SCHEMBL800830

C=C(C(C)C)C1CCN(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4834771 0.80
SCHEMBL20158951 0.77 GNAI3 (0.32) NCF1
SCHEMBL22147436 0.75
SCHEMBL14594827 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL14594830 0.75 PIK3CD (0.40) ALDH1A1
SCHEMBL12243856 0.74 MEN1 (0.40) NCF1ALDH1A1
SCHEMBL10316250 0.73 ALDH1A1 (0.37) NCF1ALDH1A1
SCHEMBL15223506 0.73 NCF1 (0.37) NCF1ALDH1A1
SCHEMBL10895308 0.73 CES2 (0.38) ALDH1A1
SCHEMBL801091 0.73 ALDH1A1 (0.38) NCF1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20180134690-A1 INDAZOLES AND USE THEREOF PURDUE PHARMA LP (US) 2018-05-17 US disclosed
US-20180134690-A1 INDAZOLES AND USE THEREOF PURDUE PHARMA LP (US) 2018-05-17 US disclosed
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-22 US disclosed
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-07-14 US disclosed
US-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-06-23 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 US disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 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 (6 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-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 NCF1 243/4885ALDH1A1 2716/4885
US-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF18B, KIF5B, KIF18A NCF1 2521/4885ALDH1A1 2246/4885
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS KIF2C, SKP1, KIF5B NCF1 2471/4885ALDH1A1 1081/4885
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 NCF1 1802/4885ALDH1A1 2214/4885
US-20180134690-A1 INDAZOLES AND USE THEREOF TRPV3, TRPA1, TRPV1 NCF1 2992/4885ALDH1A1 710/4885
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 NCF1 2060/4885ALDH1A1 1933/4885

“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.