SCHEMBL1481868

SCHEMBL1481868

C1C[C](N2CCNCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HRH1 P35367 1/20 0.46
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRB1 P08588 5/20 0.41
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
ADRB2 P07550 2/20 0.40
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
HTR2C P28335 4/20 0.38
KDM4E B2RXH2 1/20 0.38
CHRM2 P08172 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
SCHEMBL28013101 0.93 HRH1 (0.46) ALDH1A1LMNAHRH1USP2SMN1; SMN2
SCHEMBL28691107 0.92 USP2 (0.48) ALDH1A1LMNAHRH1USP2SMN1; SMN2
SCHEMBL1481847 0.92 USP2 (0.48) ALDH1A1LMNAHRH1USP2SMN1; SMN2
SCHEMBL28620324 0.88
SCHEMBL44952 0.77
SCHEMBL27597524 0.77 ADRB1 (0.41) ALDH1A1LMNAHRH1USP2SMN1; SMN2
SCHEMBL19856449 0.76
SCHEMBL22721043 0.76
SCHEMBL338532 0.75 HTR2C (0.49) ALDH1A1LMNAHRH1USP2SMN1; SMN2
SCHEMBL368445 0.74 HTR2C (0.47) ALDH1A1HRH1USP2SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637492-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-05-02 US disclosed
US-20150225407-A1 Benzothiazole Kinase Inhibitors and Methods of Use INTELLIKINE LLC 2015-08-13 US disclosed
US-8993580-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-03-31 US disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
CN-102428070-A Process For The Preparation Of Histamine H3 Receptor Modulators JANSSEN PHARMACEUTICA NV 2012-04-25 CN disclosed
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-05-26 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 US disclosed
EP-2252293-A2 KINASE INHIBITORS AND METHODS OF USE Intellikine, Inc. (US) 2010-11-24 EP disclosed
WO-2009114870-A2 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2009-09-17 WO disclosed
WO-2009114874-A2 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2009-09-17 WO 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-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 ALDH1A1 4739/4885LMNA 2831/4885HRH1 2928/4885
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE MTOR, PDPK1, PIKFYVE ALDH1A1 4673/4885LMNA 3843/4885HRH1 2110/4885
US-20150225407-A1 Benzothiazole Kinase Inhibitors and Methods of Use MTOR, PDPK1, PIKFYVE ALDH1A1 4673/4885LMNA 3843/4885HRH1 2110/4885

“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.