SCHEMBL1010815

SCHEMBL1010815

COC(=O)CN1C2CCC1CC(=O)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KAT2B Q92831 1/20 0.35
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.33
OPRL1 P41146 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL7319111 0.93 MAPK1 (0.47) BRD4KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL3645840 0.83 GSK3A (0.45) KDM4ESMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL5480653 0.83 PLA2G10 (0.40) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL3689858 0.82 BRD4 (0.41) BRD4KDM4ESMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL3693041 0.80 BRD4 (0.39) BRD4KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7458942 0.79 ALDH1A1 (0.37) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL24455951 0.79 CACNA1H (0.36) KDM4ESMN1; SMN2ALDH1A1OPRL1
SCHEMBL14441118 0.78 BRD4 (0.35) BRD4ALDH1A1OPRL1
SCHEMBL7647959 0.77 SMN1; SMN2 (0.38) SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL24249167 0.77 MAPK1 (0.44) KDM4EMAPK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220386644-A1 USES OF COCA LEAF OR VALERIAN ROOT TO REDUCE BITTERNESS IN PLANT-BASED FOODS SUCH AS THOSE CONTAINING UNSWEETENED COCOA AHARONIAN GREGORY (US) 2022-12-08 US disclosed
US-20170231248-A1 USES OF COCA LEAF OR VALERIAN ROOT TO REDUCE BITTERNESS IN PLANT-BASED FOODS SUCH AS THOSE CONTAINING UNSWEETENED COCOA AHARONIAN GREGORY (US) 2017-08-17 US disclosed
EP-3171703-A1 USE OF COCA LEAF OR VALERIAN ROOT TO REDUCE BITTERNESS IN FOODS CONTAINING UNSWEETENED COCOA Aharonian, Gregory (US) 2017-05-31 EP disclosed
WO-2016118806-A1 USES OF COCA LEAF TO REDUCE BITTERNESS IN PLANT-BASED FOODS SUCH AS THOSE CONTAINING UNSWEETENED COCOA AHARONIAN GREGORY (GB) 2016-07-28 WO disclosed
US-20160021906-A1 USES OF COCA LEAF OR VALERIAN ROOT TO REDUCE BITTERNESS IN PLANT-BASED FOODS SUCH AS THOSE CONTAINING UNSWEETENED COCOA AHARONIAN GREGORY (US) 2016-01-28 US disclosed
WO-2016014114-A1 USE OF COCA LEAF OR VALERIAN ROOT TO REDUCE BITTERNESS IN FOODS CONTAINING UNSWEETENED COCOA AHARONIAN GREGORY (US) 2016-01-28 WO disclosed
WO-2015013679-A1 USES OF COCA LEAF OR VALERIAN ROOT TO REDUCE BITTERNESS IN FOODS CONTAINING UNSWEETENED CACAO AHARONIAN GREGORY (US) 2015-01-29 WO disclosed
EP-1118674-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE NIHON MEDIPHYSICS CO LTD (JP) 2011-01-05 EP disclosed
US-6660863-B2 Reacting an cycloheptatriene nitrile compound with nortropane compound NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-12-09 US disclosed
US-6596868-B2 Reacting a cycloheptatriene derivative with a primary amine or ammonia in the presence of a base NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-07-22 US disclosed
US-20030109708-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS CO., LTD. 2003-06-12 US disclosed
US-20030065183-A1 Process for producing optically active tropinonemonocarboxylic acid ester derivative NIHON MEDI-PHYSICS CO., LTD. 2003-04-03 US disclosed
US-6486323-B1 Process for producing optically active tropinonemonocarboxylic acid derivative NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-11-26 US disclosed
US-20010020096-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS CO., LTD. (JP) 2001-09-06 US disclosed
EP-1127887-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS Co., Ltd. (JP) 2001-08-29 EP disclosed
EP-1118674-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE Nihon Medi-Physics Co., Ltd. (JP) 2001-07-25 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-20030109708-A1 Process for synthesizing anhydroecgonine derivative CES2, NPR1, OPRL1 BRD4 2556/4885KDM4E 848/4885SMN1; SMN2 4071/4885
US-20030065183-A1 Process for producing optically active tropinonemonocarboxylic acid ester derivative CES2, FTO, HAAO BRD4 4052/4885KDM4E 1007/4885SMN1; SMN2 3466/4885
US-20010020096-A1 Process for synthesizing anhydroecgonine derivative CES2, NPR1, OPRL1 BRD4 2556/4885KDM4E 848/4885SMN1; SMN2 4071/4885

“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.