SCHEMBL3676421

SCHEMBL3676421

CCOC(=O)c1ccccc1C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
HTR2C P28335 6/20 0.51
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
PLAT P00750 1/20 0.46
DHFR P00374 2/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL16752384 0.90 TSHR (0.65) TSHRALDH1A1HSD17B10CA1CA2
SCHEMBL15019745 0.87 TSHR (0.61) TSHRALDH1A1HSD17B10CA1CA2
SCHEMBL9271467 0.87 TSHR (0.60) TSHRHTR2CALDH1A1HSD17B10POLB
SCHEMBL1790478 0.85 TSHR (0.59) TSHRALDH1A1HSD17B10CA1CA2
SCHEMBL4431279 0.84 HTR2C (0.55) TSHRHTR2CALDH1A1HSD17B10PLAT
SCHEMBL3585587 0.83 TSHR (0.56) TSHRALDH1A1HSD17B10CA1CA2
Hydrochloric Acid SCHEMBL5729720 0.82 HTR2C (0.56) TSHRHTR2CALDH1A1HSD17B10PLAT
Hydrochloric Acid SCHEMBL7086185 0.82 TSHR (0.43) TSHRALDH1A1HSD17B10CA1CA2
SCHEMBL5386421 0.82 TSHR (0.62) TSHRALDH1A1HSD17B10CA1CA2
SCHEMBL28353512 0.81 TSHR (0.57) TSHRALDH1A1HSD17B10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063458-A Novel dual mode of action of soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-05-24 CN disclosed
CN-110621676-B Dual mode of action of soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-02-09 CN disclosed
CN-108290896-B 2-phenyl-3, 4-dihydropyrrolo [2,1-F ] [1,2,4] triazinone derivatives and uses thereof 托帕杜制药公司 2021-09-28 CN disclosed
CN-110621676-A Novel dual mode of action of soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2019-12-27 CN disclosed
CN-108290896-A 2- phenyl -3,4- pyrrolin as phosphodiesterase inhibitors simultaneously [2,1-F] [1,2,4] triazone derivatives and application thereof 托帕杜制药公司 2018-07-17 CN disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US 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 (1 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-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM TSHR 2272/4885HTR2C 3295/4885ALDH1A1 100/4885

“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.