SCHEMBL4309208

SCHEMBL4309208

COC(=O)[C@@H]1C[C@@H](N2CCCCC2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
AGTR2 P50052 1/20 0.38
HPGD P15428 1/20 0.38
MMP2 P08253 2/20 0.38
ANPEP P15144 1/20 0.38
PTPN1 P18031 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP13 P45452 1/20 0.37
FKBP1A P62942 1/20 0.37
EPHX1 P07099 1/20 0.36
PREP P48147 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4309204 1.00 CCNT1 (0.41) CCNT1CDK9ALDH1A1NR1H2NR1H3
SCHEMBL29889444 1.00 CCNT1 (0.41) CCNT1CDK9ALDH1A1NR1H2NR1H3
SCHEMBL29524293 0.99 CCNT1 (0.41) CCNT1CDK9ALDH1A1NR1H2NR1H3
SCHEMBL6536648 0.99 CCNT1 (0.41) CCNT1CDK9ALDH1A1NR1H2NR1H3
SCHEMBL22333707 0.88 HSD17B10 (0.41) ALDH1A1NR1H2NR1H3HPGDPTPN1
SCHEMBL15397259 0.87 USP2 (0.44) CCNT1CDK9NR1H2NR1H3AGTR2
SCHEMBL14915300 0.87 USP2 (0.44) CCNT1CDK9NR1H2NR1H3AGTR2
SCHEMBL4312766 0.86 HSD17B10 (0.43) AGTR2HPGDPREPHSD17B10CHRM2
SCHEMBL4312765 0.86 HSD17B10 (0.43) AGTR2HPGDPREPHSD17B10CHRM2
SCHEMBL4316869 0.86 CCNT1 (0.40) CCNT1CDK9ALDH1A1NR1H2NR1H3

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-11866422-B2 Carbocyclic prolinamide derivatives Orion Ophthalmology LLC (US) 2024-01-09 US disclosed
CN-109563033-B Aliphatic prolinamide derivatives 奥瑞恩眼科有限责任公司 2023-04-04 CN disclosed
US-11267803-B2 Carbocyclic prolinamide derivatives Orion Ophthalmology LLC (US) 2022-03-08 US disclosed
EP-3472130-B1 ALIPHATIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2022-02-16 EP disclosed
EP-3472130-B1 ALIPHATIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2022-02-16 EP disclosed
US-10730832-B2 Aliphatic prolinamide derivatives Orion Ophthalmology LLC (US) 2020-08-04 US disclosed
US-20190330146-A1 ALIPHATIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2019-10-31 US disclosed
WO-2016100555-A1 BORONIC ACID DERIVATIVES AND USES THEREOF INCEPTION 4, INC. (US) 2016-06-23 WO disclosed
US-20090069376-A1 VLA-4 Antagonists MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
US-20090069376-A1 VLA-4 Antagonists MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
WO-2006115918-A2 VLA-4 ANTAGONISTS MERCK & CO., INC. (US) 2006-11-02 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 (5 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-10730832-B2 Aliphatic prolinamide derivatives HTRA1, ALDH1A2, PREP CCNT1 327/4885CDK9 1821/4885ALDH1A1 122/4885
US-11267803-B2 Carbocyclic prolinamide derivatives HTRA1, ADCYAP1R1, HTRA2 CCNT1 139/4885CDK9 1003/4885ALDH1A1 271/4885
US-11866422-B2 Carbocyclic prolinamide derivatives HTRA1, ADCYAP1R1, HTRA2 CCNT1 139/4885CDK9 1003/4885ALDH1A1 271/4885
US-20190330146-A1 ALIPHATIC PROLINAMIDE DERIVATIVES HTRA1, ALDH1A2, PREP CCNT1 327/4885CDK9 1821/4885ALDH1A1 122/4885
US-20090069376-A1 VLA-4 Antagonists VCAM1, SELPLG, ITGB4 CCNT1 3334/4885CDK9 2231/4885ALDH1A1 854/4885

“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.