SCHEMBL593143

SCHEMBL593143

c1ccc2cc(CN3CCNCC3)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.71
KMT2A Q03164 2/20 0.70
SIGMAR1 Q99720 2/20 0.62
ACHE P22303 1/20 0.62
PKM P14618 1/20 0.62
CHKA P35790 1/20 0.59
MC4R P32245 1/20 0.57
MC5R P33032 1/20 0.57
HTR3A P46098 2/20 0.56
CXCR4 P61073 4/20 0.54
HTR6 P50406 1/20 0.53
MEN1 O00255 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
ADRA2C P18825 1/20 0.53
CCR2 P41597 1/20 0.53
CXCL12 P48061 1/20 0.53
BLM P54132 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL16830448 0.98 SLC6A4 (0.69) SLC6A4KMT2ASIGMAR1ACHEPKM
SCHEMBL10460248 0.95 SLC6A4 (0.65) SLC6A4KMT2ASIGMAR1ACHEPKM
SCHEMBL10135595 0.94 SLC6A4 (0.64) SLC6A4KMT2ASIGMAR1ACHEPKM
SCHEMBL27999347 0.87 KMT2A (0.89) KMT2AACHEPKMCHKAMC4R
SCHEMBL11585390 0.85 SIGMAR1 (0.56) SLC6A4KMT2ASIGMAR1CXCR4MEN1
SCHEMBL31392631 0.84 CHKA (0.79) KMT2AACHEPKMCHKAMC4R
SCHEMBL31097161 0.84 KMT2A (0.77) KMT2ASIGMAR1ACHEPKMCHKA
SCHEMBL11586921 0.83 CXCR4 (0.59) SLC6A4KMT2ASIGMAR1ACHECHKA
SCHEMBL8671948 0.83 SLC6A4 (1.00) SLC6A4KMT2ASIGMAR1PKMMC4R
SCHEMBL4750742 0.82 KMT2A (1.00) KMT2ASIGMAR1ACHEPKMCHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873320-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-12 EP claimed
EP-3796900-B1 TRITERPENE AMINE DERIVATIVES DFH THERAPEUTICS (US) 2026-04-08 EP disclosed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
EP-3796900-A1 TRITERPENE AMINE DERIVATIVES DFH Therapeutics (US) 2021-03-31 EP disclosed
US-20180360824-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-12-20 US disclosed
US-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
WO-2004018483-A1 FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-04 WO disclosed
EP-1368358-A1 ISOXAZOLINE DERIVATIVES AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-10 EP disclosed
WO-2003076400-A1 NEW INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 WO disclosed
WO-2002066484-A1 ISOXAZOLINE DERIVATIVES AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2002-08-29 WO disclosed
US-5561140-A IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1996-10-01 US disclosed
US-5530119-A IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1996-06-25 US disclosed
EP-0690713-A1 SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1996-01-10 EP disclosed
WO-1994021254-A1 SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed
US-4177272-A HYPOTENSIVE, VASODILATION, PARKINSON'S DISEASE SCIENCE UNION ET CIE (FR) 1979-12-04 US disclosed
US-4112092-A CNS DISORDER, PARKINSON'S, CARDIOVASCULAR DISORDER SCIENCE UNION ET CIE (FR) 1978-09-05 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 (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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 SLC6A4 3007/4885KMT2A 3133/4885SIGMAR1 1936/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 SLC6A4 3345/4885KMT2A 2932/4885SIGMAR1 1237/4885
US-20180360824-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS CASP3, CASP5, CASP6 SLC6A4 4852/4885KMT2A 3185/4885SIGMAR1 4613/4885
US-10022371-B2 Procaspase-activating compounds and methods CASP3, CASP5, CASP6 SLC6A4 4852/4885KMT2A 3185/4885SIGMAR1 4613/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 SLC6A4 3007/4885KMT2A 3133/4885SIGMAR1 1936/4885

“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.