SCHEMBL9838564

SCHEMBL9838564

CC(C)C(=O)c1ccccc1CCN

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.50
TAAR1 Q96RJ0 8/20 0.47
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
FOLH1 Q04609 1/20 0.42
HTR2A P28223 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
DHODH Q02127 1/20 0.37
PDK2 Q15119 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL17058837 0.85 ALDH1A1 (0.41) HMGB1KMT2AALDH1A1FOLH1TSHR
SCHEMBL9331010 0.81 HMGB1 (0.53) HMGB1TAAR1KMT2AALDH1A1FOLH1
SCHEMBL10276952 0.80 CLCN2 (0.43) KMT2AALDH1A1HTR2ATSHRPOLB
SCHEMBL11397191 0.80 TSHR (0.43) KMT2AALDH1A1FOLH1LMNATSHR
SCHEMBL13601942 0.80 KEAP1 (0.47) KMT2AALDH1A1FOLH1LMNA
SCHEMBL31484803 0.79 HMGB1 (0.70) HMGB1TAAR1ALDH1A1FOLH1HTR2A
SCHEMBL1449563 0.79 HMGB1 (0.70) HMGB1TAAR1ALDH1A1FOLH1HTR2A
SCHEMBL731621 0.79 HMGB1 (0.55) HMGB1TAAR1KMT2AALDH1A1FOLH1
SCHEMBL10308375 0.77 PDK2 (0.46) KMT2AALDH1A1TSHRPDK2
SCHEMBL17058852 0.77 HMGB1 (0.43) HMGB1TAAR1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS Han, Jie (US) 2020-09-17 US disclosed
US-10626156-B2 Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs Han, Jie (US) 2020-04-21 US disclosed
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 US disclosed
US-5008452-A Antidepressants, sedatives and anticonvulsants DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-04-16 US disclosed
US-4235931-A ANTIDEPRESSANTS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1980-11-25 US disclosed
US-4192818-A ANTIDEPRESSANTS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1980-03-11 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 (3 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-10626156-B2 Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs NOS2, EGLN2, HPGD HMGB1 535/4885TAAR1 1916/4885KMT2A 3057/4885
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD HMGB1 535/4885TAAR1 1916/4885KMT2A 3057/4885
US-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD HMGB1 535/4885TAAR1 1916/4885KMT2A 3057/4885

“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.