SCHEMBL13622107

SCHEMBL13622107

CC(C)(C)NCCc1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL21569587 0.89 HRH4 (0.44) HRH4HRH3
SCHEMBL13958915 0.82 HRH4 (0.32) HRH4HRH3
SCHEMBL22508014 0.80 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL2893056 0.79 HRH4 (0.38) HRH4HRH3ALDH1A1
SCHEMBL14707751 0.79 IDO1 (0.32)
SCHEMBL119179 0.79
SCHEMBL22508015 0.78
SCHEMBL31364605 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL31364603 0.78 ALDH1A1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL1308667 0.78 HRH4 (0.37) HRH4HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220412961-A1 DEVICE AND METHOD FOR ANALYTE DETECTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 US disclosed
US-10669253-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-02 US disclosed
US-10464925-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-05 US disclosed
US-10266531-B2 Naphthyridinone derivatives and their use in the treatment of arrhythmia NOVARTIS AG (CH) 2019-04-23 US disclosed
US-20190071415-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-07 US disclosed
US-20180134684-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-17 US disclosed
US-20180134684-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-17 US disclosed
US-20180009779-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-11 US disclosed
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-11-26 US disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 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 (9 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-20190071415-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP HRH4 3823/4885HRH3 3634/4885KDM4E 3648/4885
US-20180009779-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP HRH4 3823/4885HRH3 3634/4885KDM4E 3648/4885
US-10266531-B2 Naphthyridinone derivatives and their use in the treatment of arrhythmia SCN1B, NPR3, SCN3A HRH4 387/4885HRH3 257/4885KDM4E 1891/4885
US-20220412961-A1 DEVICE AND METHOD FOR ANALYTE DETECTION SPR, EZR, CD2BP2 HRH4 4535/4885HRH3 4302/4885KDM4E 4751/4885
US-20070021406-A1 New neurokinin antagonists for use as medicaments NPSR1, HRH4, OPRL1 HRH4 2/4885HRH3 10/4885KDM4E 3617/4885
US-10464925-B2 Methods to induce targeted protein degradation through bifunctional molecules CRBN, MDM2, MYCBP HRH4 3823/4885HRH3 3634/4885KDM4E 3648/4885
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS KCNB2, KCNJ2, KCNJ5 HRH4 599/4885HRH3 1063/4885KDM4E 477/4885
US-10669253-B2 Methods to induce targeted protein degradation through bifunctional molecules CRBN, SMARCE1, MDM2 HRH4 3907/4885HRH3 3106/4885KDM4E 2734/4885
US-20180134684-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP HRH4 3823/4885HRH3 3634/4885KDM4E 3648/4885

“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.