SCHEMBL3055288

SCHEMBL3055288

COc1ncccc1CCN

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
SLC13A5 Q86YT5 1/20 0.50
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
KDM1A O60341 3/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HRH1 P35367 1/20 0.41
APLNR P35414 1/20 0.41

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
SCHEMBL27939661 0.89 SLC13A5 (0.48) TAAR1SLC13A5HTR2AHTR2CKDM1A
SCHEMBL28199240 0.85 SLC13A5 (0.50) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL1265988 0.85 KDM1A (0.46) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL29587038 0.85 KDM1A (0.46) SLC13A5HTR2AHTR2CKDM1AMAOA
Hydrochloric Acid SCHEMBL16797857 0.83 KDM1A (0.44) SLC13A5HTR2AHTR2CKDM1AMAOA
Hydrochloric Acid SCHEMBL5900832 0.83 KDM1A (0.44) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL12093550 0.83 SLC13A5 (0.51) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL8220219 0.82 SLC13A5 (0.48) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL18892461 0.81 SLC13A5 (0.50) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL5780541 0.81 SLC13A5 (0.54) SLC13A5HTR2AHTR2CKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137506-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS CURASEN THERAPEUTICS, INC. (US) 2024-06-27 WO disclosed
WO-2023225021-A1 COMPOSITIONS AND METHODS FOR TREATING PATIENTS WITH AMYOTROPHIC LATERAL SCLEROSIS (ALS) CURASEN THERAPEUTICS, INC. (US) 2023-11-23 WO disclosed
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
WO-2022149167-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST BUGWORKS RESEARCH INDIA PVT LTD (IN) 2022-07-14 WO disclosed
EP-3820860-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 Lieber Institute, Inc. (US) 2021-05-19 EP disclosed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 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 (2 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-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 TAAR1 176/4885SLC13A5 776/4885HTR2A 31/4885
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 TAAR1 4156/4885SLC13A5 319/4885HTR2A 3551/4885

“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.