SCHEMBL13656169

SCHEMBL13656169

CC(C)(C)CN1CCC(N2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.39
L3MBTL3 Q96JM7 2/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL12772414 0.98 HRH3 (0.42) HRH3L3MBTL1ALDH1A1TSHRRECQL
SCHEMBL18032442 0.94 HRH3 (0.39) HRH3L3MBTL1ALDH1A1TSHRRECQL
SCHEMBL13920360 0.89 HRH3 (0.40) HRH3L3MBTL1ALDH1A1TSHRRECQL
SCHEMBL13683472 0.89 HRH3 (0.40) HRH3L3MBTL1ALDH1A1TSHRRECQL
SCHEMBL13920362 0.86 HRH3 (0.38) HRH3L3MBTL1ALDH1A1TSHRRECQL
SCHEMBL18026602 0.84 SIGMAR1 (0.44) ALDH1A1KDM4E
SCHEMBL14354978 0.84 SIGMAR1 (0.44) ALDH1A1KDM4E
SCHEMBL15696998 0.82 SIGMAR1 (0.38) ALDH1A1KDM4E
SCHEMBL18177837 0.82 SIGMAR1 (0.41) ALDH1A1KDM4E
SCHEMBL22304541 0.81 TRPV6 (0.37) ALDH1A1KDM4EKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
US-9656996-B2 Fused heterocyclic compound, preparation method therefor, pharmaceutical composition, and uses thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2017-05-23 US disclosed
US-9656996-B2 Fused heterocyclic compound, preparation method therefor, pharmaceutical composition, and uses thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2017-05-23 US disclosed
US-20160244432-A1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTCIAL COMPOSITION, AND USES THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2016-08-25 US disclosed
US-9056851-B2 Thiolactone antibiotics THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-06-16 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 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-20160244432-A1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTCIAL COMPOSITION, AND USES THEREOF PIK3CA, PIK3CD, PIK3R5 HRH3 1958/4885L3MBTL1 4873/4885ALDH1A1 3370/4885
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 HRH3 4133/4885L3MBTL1 4350/4885ALDH1A1 4836/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 HRH3 153/4885L3MBTL1 1265/4885ALDH1A1 3188/4885

“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.