SCHEMBL3669583

SCHEMBL3669583

C[C@@H](N)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.43
PDE2A O00408 8/20 0.41
OGA O60502 2/20 0.39
KIF11 P52732 1/20 0.39
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
ADRB2 P07550 1/20 0.36
ACACB O00763 1/20 0.36
NOTUM Q6P988 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMYD3 Q9H7B4 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
SCHEMBL26923489 1.00 GPR55 (0.43) GPR55PDE2AOGAKIF11CTNNB1
SCHEMBL20559520 1.00 GPR55 (0.43) GPR55PDE2AOGAKIF11CTNNB1
Hydrochloric Acid SCHEMBL27126749 0.98 GPR55 (0.42) GPR55PDE2AOGAKIF11CTNNB1
Hydrochloric Acid SCHEMBL31461346 0.98 GPR55 (0.42) GPR55PDE2AOGAKIF11CTNNB1
Hydrochloric Acid SCHEMBL16989251 0.98 GPR55 (0.42) GPR55PDE2AOGAKIF11CTNNB1
Hydrochloric Acid SCHEMBL30239946 0.98 GPR55 (0.42) GPR55PDE2AOGAKIF11CTNNB1
SCHEMBL879006 0.85 GPR55 (0.45) GPR55PDE2AOGAKIF11CTNNB1
Hydrochloric Acid SCHEMBL26924000 0.84 PDE2A (0.40) GPR55PDE2AOGAKIF11CTNNB1
Hydrochloric Acid SCHEMBL26923999 0.84 PDE2A (0.40) GPR55PDE2AOGAKIF11CTNNB1
SCHEMBL12263549 0.82 PDE2A (0.43) GPR55PDE2AOGAKIF11CTNNB1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119677730-A Compounds, compositions, and methods of use thereof 希安纳医疗公司 2025-03-21 CN disclosed
EP-4309653-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Exithera Pharmaceuticals Inc. (US) 2024-01-24 EP disclosed
CN-115461327-A Spiro urea derivatives 爱杜西亚药品有限公司 2022-12-09 CN disclosed
US-11420944-B2 Voltage-dependent t-type calcium channel blocker NIPPON CHEMIPHAR CO., LTD. (JP) 2022-08-23 US disclosed
US-11198673-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-10259785-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2019-04-16 US disclosed
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2019-03-14 US disclosed
EP-3404021-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR Nippon Chemiphar Co., Ltd. (JP) 2018-11-21 EP disclosed
US-9994521-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2018-06-12 US disclosed
US-20170037003-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2017-02-09 US disclosed
US-9499532-B2 Therapeutic compounds and compositions eXIthera Pharmaceuticals Inc. (US) 2016-11-22 US disclosed
US-20150225389-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2015-08-13 US disclosed
US-20150225389-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2015-08-13 US disclosed
WO-2015120062-A2 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2015-08-13 WO disclosed
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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 (7 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-20170037003-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLKB1, KLK2 GPR55 2798/4885PDE2A 624/4885OGA 2405/4885
US-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 GPR55 424/4885PDE2A 334/4885OGA 4733/4885
US-11198673-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 GPR55 2798/4885PDE2A 624/4885OGA 2405/4885
US-11420944-B2 Voltage-dependent t-type calcium channel blocker CACNA1I, CACNA1G, CACNA1E GPR55 653/4885PDE2A 2308/4885OGA 4806/4885
US-10259785-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 GPR55 2798/4885PDE2A 624/4885OGA 2405/4885
US-20150225389-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLKB1, KLK2 GPR55 2798/4885PDE2A 624/4885OGA 2405/4885
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1E GPR55 587/4885PDE2A 2796/4885OGA 4732/4885

“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.