SCHEMBL7091802

SCHEMBL7091802

NCCC(S)C(=O)NCCS

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.40
RRM1 P23921 1/20 0.39
RNPEP Q9H4A4 1/20 0.35
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ESR1 P03372 1/20 0.31
CPB2 Q96IY4 1/20 0.31
SIRT6 Q8N6T7 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
USP2 O75604 2/20 0.30
GABRR1 P24046 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 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
SCHEMBL929992 0.80 TDP1 (0.39) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL929317 0.75 USP2 (0.46) DPP7ALDH1A1MAPTLMNAPTGS2
SCHEMBL29901584 0.72 GNAI3 (0.64) DPP7RRM1RNPEPGNAI3GNAO1
SCHEMBL23531502 0.72 GNAI3 (0.64) DPP7RRM1RNPEPGNAI3GNAO1
SCHEMBL29747134 0.71 GNAI3 (0.62) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL5469946 0.70 ALDH1A1 (0.56) DPP7ALDH1A1MAPTLMNAPTGS2
SCHEMBL929185 0.70
SCHEMBL18197270 0.69 TSHR (0.35) DPP7RRM1ALDH1A1MAPTLMNA
SCHEMBL19619370 0.69 GNAI3 (0.69) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL929889 0.69 DPP7 (0.43) DPP7RRM1GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660863-B2 Reacting an cycloheptatriene nitrile compound with nortropane compound NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-12-09 US claimed
US-20030109708-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS CO., LTD. 2003-06-12 US claimed
US-20010020096-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS CO., LTD. (JP) 2001-09-06 US claimed
EP-1127887-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS Co., Ltd. (JP) 2001-08-29 EP claimed

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-20030109708-A1 Process for synthesizing anhydroecgonine derivative CES2, NPR1, OPRL1 DPP7 3468/4885RRM1 3536/4885RNPEP 433/4885
US-20010020096-A1 Process for synthesizing anhydroecgonine derivative CES2, NPR1, OPRL1 DPP7 3468/4885RRM1 3536/4885RNPEP 433/4885

“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.