SCHEMBL3570495

SCHEMBL3570495

NCc1cccc2ccc(Cl)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
PNMT P11086 3/20 0.45
TAAR1 Q96RJ0 2/20 0.39
HTR2A P28223 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
DPP4 P27487 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
ALPG P10696 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTT P42858 1/20 0.37
NR4A2 P43354 1/20 0.36

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
Hydrochloric Acid SCHEMBL3580262 0.98 CYP2A6 (0.46) CYP2A6PNMTTAAR1HTR2ATRPM8
Trifluoroacetic Acid SCHEMBL3582556 0.85 LOXL2 (0.42) CYP2A6LOXL2MEN1KMT2ACYP1A2
SCHEMBL15345459 0.85 PNMT (0.45) CYP2A6PNMTTAAR1HTR2ADPP4
SCHEMBL29792747 0.82 CYP2A6 (0.45) CYP2A6HTR2AMEN1KMT2ACYP1A2
SCHEMBL11584656 0.82 CYP2A6 (0.45) CYP2A6HTR2AMEN1KMT2ACYP1A2
SCHEMBL18015817 0.81 CYP2A6 (0.43) CYP2A6MEN1KMT2ACYP1A2CYP2C19
SCHEMBL3276205 0.81 CYP2A6 (0.43) CYP2A6HTR2AMEN1KMT2ACYP1A2
SCHEMBL3571906 0.81 CYP2A6 (0.43) CYP2A6MEN1KMT2ACYP1A2CYP2C19
SCHEMBL29792638 0.81 CYP2A6 (0.43) CYP2A6MEN1KMT2ACYP1A2CYP2C19
SCHEMBL15352213 0.81 CYP2A6 (0.43) CYP2A6MEN1KMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-11 US disclosed
EP-4477220-A2 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-12-18 EP disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-07 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
EP-4031547-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2022-07-27 EP disclosed
WO-2021055621-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2021-03-25 WO disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 EP disclosed
CN-101687913-B Kallikrein 7 modulators NOVARTIS AG 2013-09-18 CN disclosed
US-20130028843-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8309596-B2 Kallikrein 7 modulators NOVARTIS AG (CH) 2012-11-13 US disclosed
US-20100256144-A1 Kallikrein 7 modulators NOVARTIS AG (CH) 2010-10-07 US disclosed
EP-2170939-A1 KALLIKREIN 7 MODULATORS Novartis Ag (CH) 2010-04-07 EP disclosed
CN-101687913-A kallikrein 7 modulators NOVARTIS AG 2010-03-31 CN disclosed
WO-2009000878-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2008-12-31 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 (6 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-20130028843-A1 KALLIKREIN 7 MODULATORS KLK7, KLK5, KLKB1 CYP2A6 2666/4885PNMT 3728/4885TAAR1 4157/4885
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 CYP2A6 2270/4885PNMT 1955/4885TAAR1 4215/4885
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 CYP2A6 2270/4885PNMT 1955/4885TAAR1 4215/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 CYP2A6 2666/4885PNMT 3728/4885TAAR1 4157/4885
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 CYP2A6 278/4885PNMT 334/4885TAAR1 6/4885
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 CYP2A6 2270/4885PNMT 1955/4885TAAR1 4215/4885

“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.